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

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

CC1CCC[NH+](C1)CC(=O)NC2=C(N(C3=CC=CC(=C32)C)C)C(=O)OC

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC(=O)NC2=C(N(C3=CC=CC(=C32)C)C)C(=O)OC

InChI

InChI=1S/C20H27N3O3/c1-13-7-6-10-23(11-13)12-16(24)21-18-17-14(2)8-5-9-15(17)22(3)19(18)20(25)26-4/h5,8-9,13H,6-7,10-12H2,1-4H3,(H,21,24)/p+1/t13-/m1/s1