N,N'-bis[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]-N,N'-dimethyl-pentane-1,5-diamine diethanoate

Systemtic Name: N,N'-bis[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]-N,N'-dimethyl-pentane-1,5-diamine diethanoate Openeye Name: N,N'-bis[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]-N,N'-dimethyl-pentane-1,5-diamine diacetate CAS Name: N,N'-bis[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]-N,N'-dimethylpentane-1,5-diamine diacetate IUPAC Name: N,N'-bis[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]-N,N'-dimethylpentane-1,5-diamine diacetate Traditional Name: 2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl-[5-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl-methyl-amino]pentyl]-methyl-amine diacetate Formula: C47H54N6O6 MolecularWeight: 798.96826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].CN(CCCCCN(C)CC[N+]1=CC2=C(C=CC3=C2C4=C(N3)C=CC(=C4)OC)C=C1)CC[N+]5=CC6=C(C=CC7=C6C8=C(N7)C=CC(=C8)OC)C=C5

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].CN(CCCCCN(C)CC[N+]1=CC2=C(C=CC3=C2C4=C(N3)C=CC(=C4)OC)C=C1)CC[N+]5=CC6=C(C=CC7=C6C8=C(N7)C=CC(=C8)OC)C=C5

InChI

InChI=1S/C43H46N6O2.2C2H4O2/c1-46(22-24-48-20-16-30-8-12-40-42(36(30)28-48)34-26-32(50-3)10-14-38(34)44-40)18-6-5-7-19-47(2)23-25-49-21-17-31-9-13-41-43(37(31)29-49)35-27-33(51-4)11-15-39(35)45-41;2*1-2(3)4/h8-17,20-21,26-29H,5-7,18-19,22-25H2,1-4H3;2*1H3,(H,3,4)