methyl 4-methoxy-3-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate

Systemtic Name: methyl 4-methoxy-3-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: methyl 4-methoxy-3-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 4-methoxy-3-[[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-methoxy-3-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 4-methoxy-3-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C)C(=O)NC2=C(NC3=C2C(=CC=C3)OC)C(=O)OC

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](C)C(=O)NC2=C(NC3=C2C(=CC=C3)OC)C(=O)OC

InChI

InChI=1S/C20H27N3O4/c1-12-8-10-23(11-9-12)13(2)19(24)22-17-16-14(6-5-7-15(16)26-3)21-18(17)20(25)27-4/h5-7,12-13,21H,8-11H2,1-4H3,(H,22,24)/p+1/t13-/m1/s1