methyl 3-[2-[(2R)-2-ethylpiperidin-1-ium-1-yl]ethanoylamino]-4-methoxy-1H-indole-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC(=O)NC2=C(NC3=C2C(=CC=C3)OC)C(=O)OC

Isomeric SMILES

CC[C@@H]1CCCC[NH+]1CC(=O)NC2=C(NC3=C2C(=CC=C3)OC)C(=O)OC

InChI

InChI=1S/C20H27N3O4/c1-4-13-8-5-6-11-23(13)12-16(24)22-18-17-14(9-7-10-15(17)26-2)21-19(18)20(25)27-3/h7,9-10,13,21H,4-6,8,11-12H2,1-3H3,(H,22,24)/p+1/t13-/m1/s1