ethyl 3-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-(4-benzylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 3-[[1-oxo-3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(4-benzylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 3-[3-(4-benzylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CC[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CC[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O3/c1-2-32-25(31)24-23(20-10-6-7-11-21(20)26-24)27-22(30)12-13-28-14-16-29(17-15-28)18-19-8-4-3-5-9-19/h3-11,26H,2,12-18H2,1H3,(H,27,30)/p+1