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

Systemtic Name: ethyl 6-bromanyl-5-methoxy-1-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-methoxy-1-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-1-methyl-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-methoxy-1-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-3-carboxylate Traditional Name: 6-bromo-5-methoxy-1-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-3-carboxylic acid ethyl ester Formula: C24H29BrN3O3+ MolecularWeight: 487.40936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H28BrN3O3/c1-4-31-24(29)23-18-14-22(30-3)19(25)15-20(18)26(2)21(23)16-27-10-12-28(13-11-27)17-8-6-5-7-9-17/h5-9,14-15H,4,10-13,16H2,1-3H3/p+1