methyl 1,4-dimethyl-3-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]indole-2-carboxylate

Systemtic Name: methyl 1,4-dimethyl-3-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]indole-2-carboxylate Openeye Name: methyl 1,4-dimethyl-3-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]indole-2-carboxylate CAS Name: 1,4-dimethyl-3-[[2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1,4-dimethyl-3-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]indole-2-carboxylate Traditional Name: 1,4-dimethyl-3-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]indole-2-carboxylic acid methyl ester Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)NC2=C(N(C3=CC=CC(=C32)C)C)C(=O)OC

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)NC2=C(N(C3=CC=CC(=C32)C)C)C(=O)OC

InChI

InChI=1S/C20H27N3O3/c1-13-8-7-10-15-17(13)18(19(22(15)3)20(25)26-4)21-16(24)12-23-11-6-5-9-14(23)2/h7-8,10,14H,5-6,9,11-12H2,1-4H3,(H,21,24)/p+1/t14-/m0/s1