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

Systemtic Name: ethyl 5-methoxy-3-[[(2S)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-methoxy-3-[[(2S)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-methoxy-3-[[(2S)-2-(4-methyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-3-[[(2S)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-methoxy-3-[[(2S)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C21H30N3O4+ MolecularWeight: 388.4806

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4/c1-5-28-21(26)19-18(16-12-15(27-4)6-7-17(16)22-19)23-20(25)14(3)24-10-8-13(2)9-11-24/h6-7,12-14,22H,5,8-11H2,1-4H3,(H,23,25)/p+1/t14-/m0/s1