10-methoxy-2-(2-piperidin-1-ylethyl)-7H-pyrido[4,3-c]carbazol-2-ium diethanoate

Systemtic Name: 10-methoxy-2-(2-piperidin-1-ylethyl)-7H-pyrido[4,3-c]carbazol-2-ium diethanoate Openeye Name: 10-methoxy-2-[2-(1-piperidyl)ethyl]-7H-pyrido[4,3-c]carbazol-2-ium diacetate CAS Name: 10-methoxy-2-[2-(1-piperidinyl)ethyl]-7H-pyrido[4,3-c]carbazol-2-ium diacetate IUPAC Name: 10-methoxy-2-(2-piperidin-1-ylethyl)-7H-pyrido[4,3-c]carbazol-2-ium diacetate Traditional Name: 10-methoxy-2-(2-piperidinoethyl)-7H-pyrido[4,3-c]carbazol-2-ium diacetate Formula: C50H58N6O6 MolecularWeight: 839.03212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].COC1=CC2=C(C=C1)NC3=C2C4=C(C=C3)C=C[N+](=C4)CCN5CCCCC5.COC1=CC2=C(C=C1)NC3=C2C4=C(C=C3)C=C[N+](=C4)CCN5CCCCC5

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].COC1=CC2=C(C=C1)NC3=C2C4=C(C=C3)C=C[N+](=C4)CCN5CCCCC5.COC1=CC2=C(C=C1)NC3=C2C4=C(C=C3)C=C[N+](=C4)CCN5CCCCC5

InChI

InChI=1S/2C23H25N3O.2C2H4O2/c2*1-27-18-6-8-21-19(15-18)23-20-16-26(14-13-25-10-3-2-4-11-25)12-9-17(20)5-7-22(23)24-21;2*1-2(3)4/h2*5-9,12,15-16H,2-4,10-11,13-14H2,1H3;2*1H3,(H,3,4)