methyl 3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]-4-methoxy-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]-4-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-4-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-4-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-[(3S,5S)-3,5-dimethylpiperidin-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:

CC1CC(C[NH+](C1)CC(=O)NC2=C(NC3=C2C(=CC=C3)OC)C(=O)OC)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC(=O)NC2=C(NC3=C2C(=CC=C3)OC)C(=O)OC)C

InChI

InChI=1S/C20H27N3O4/c1-12-8-13(2)10-23(9-12)11-16(24)22-18-17-14(6-5-7-15(17)26-3)21-19(18)20(25)27-4/h5-7,12-13,21H,8-11H2,1-4H3,(H,22,24)/p+1/t12-,13-/m0/s1