ethyl 5-methoxy-3-[[(2S)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-methoxy-3-[[(2S)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[(2S)-2-(4-benzylpiperidin-1-ium-1-yl)propanoyl]amino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 5-methoxy-3-[[(2S)-1-oxo-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]propyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(2S)-2-(4-benzylpiperidin-1-ium-1-yl)propanoyl]amino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[(2S)-2-(4-benzylpiperidin-1-ium-1-yl)propanoyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C27H34N3O4+ MolecularWeight: 464.57656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C(C)[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)[C@H](C)[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O4/c1-4-34-27(32)25-24(22-17-21(33-3)10-11-23(22)28-25)29-26(31)18(2)30-14-12-20(13-15-30)16-19-8-6-5-7-9-19/h5-11,17-18,20,28H,4,12-16H2,1-3H3,(H,29,31)/p+1/t18-/m0/s1