ethyl 6-bromanyl-5-methoxy-1-methyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-methoxy-1-methyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-methoxy-1-methyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-1-methyl-2-[(4-methyl-1-piperazin-4-iumyl)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-methoxy-1-methyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]indole-3-carboxylate Traditional Name: 6-bromo-5-methoxy-1-methyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]indole-3-carboxylic acid ethyl ester Formula: C19H27BrN3O3+ MolecularWeight: 425.33998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CN3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CN3CC[NH+](CC3)C

InChI

InChI=1S/C19H26BrN3O3/c1-5-26-19(24)18-13-10-17(25-4)14(20)11-15(13)22(3)16(18)12-23-8-6-21(2)7-9-23/h10-11H,5-9,12H2,1-4H3/p+1