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

Systemtic Name: ethyl 5-methoxy-2-methyl-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]indole-3-carboxylate Openeye Name: ethyl 5-methoxy-2-methyl-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]indole-3-carboxylate CAS Name: 5-methoxy-2-methyl-1-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-2-methyl-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]indole-3-carboxylate Traditional Name: 5-methoxy-2-methyl-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]indole-3-carboxylic acid ethyl ester Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC)CC[NH+]3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC)CC[NH+]3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H31N3O3/c1-4-31-25(29)24-19(2)28(23-11-10-21(30-3)18-22(23)24)17-14-26-12-15-27(16-13-26)20-8-6-5-7-9-20/h5-11,18H,4,12-17H2,1-3H3/p+1