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

Systemtic Name: ethyl 6-bromanyl-5-methoxy-1-phenyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-methoxy-1-phenyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-1-phenyl-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-methoxy-1-phenyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-3-carboxylate Traditional Name: 6-bromo-5-methoxy-1-phenyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-3-carboxylic acid ethyl ester Formula: C29H31BrN3O3+ MolecularWeight: 549.47874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H30BrN3O3/c1-3-36-29(34)28-23-18-27(35-2)24(30)19-25(23)33(22-12-8-5-9-13-22)26(28)20-31-14-16-32(17-15-31)21-10-6-4-7-11-21/h4-13,18-19H,3,14-17,20H2,1-2H3/p+1