methyl 5-methyl-3-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-methyl-3-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-methyl-3-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-methyl-3-[[3-(4-methyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-3-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5-methyl-3-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3/c1-13-6-9-23(10-7-13)11-8-17(24)22-18-15-12-14(2)4-5-16(15)21-19(18)20(25)26-3/h4-5,12-13,21H,6-11H2,1-3H3,(H,22,24)/p+1