ethyl 5-methoxy-1,2-dimethyl-4-[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]indole-3-carboxylate

Systemtic Name: ethyl 5-methoxy-1,2-dimethyl-4-[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]indole-3-carboxylate Openeye Name: ethyl 5-methoxy-1,2-dimethyl-4-[[2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetyl]amino]indole-3-carboxylate CAS Name: 5-methoxy-1,2-dimethyl-4-[[1-oxo-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]ethyl]amino]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-1,2-dimethyl-4-[[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]indole-3-carboxylate Traditional Name: 5-methoxy-1,2-dimethyl-4-[[2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetyl]amino]indole-3-carboxylic acid ethyl ester Formula: C25H32N5O4+ MolecularWeight: 466.55268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4)C)C

InChI

InChI=1S/C25H31N5O4/c1-5-34-25(32)22-17(2)28(3)18-9-10-19(33-4)24(23(18)22)27-21(31)16-29-12-14-30(15-13-29)20-8-6-7-11-26-20/h6-11H,5,12-16H2,1-4H3,(H,27,31)/p+1