1-methyl-3-[2-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-2-oxidanylidene-ethyl]indole-2-carboxylate

Systemtic Name: 1-methyl-3-[2-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-2-oxidanylidene-ethyl]indole-2-carboxylate Openeye Name: 1-methyl-3-[2-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-2-oxo-ethyl]indole-2-carboxylate CAS Name: 1-methyl-3-[2-[3-(4-methyl-1-piperidin-1-iumyl)propylamino]-2-oxoethyl]-2-indolecarboxylate IUPAC Name: 1-methyl-3-[2-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-2-oxoethyl]indole-2-carboxylate Traditional Name: 3-[2-keto-2-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]ethyl]-1-methyl-indole-2-carboxylate Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC(=O)CC2=C(N(C3=CC=CC=C32)C)C(=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC(=O)CC2=C(N(C3=CC=CC=C32)C)C(=O)[O-]

InChI

InChI=1S/C21H29N3O3/c1-15-8-12-24(13-9-15)11-5-10-22-19(25)14-17-16-6-3-4-7-18(16)23(2)20(17)21(26)27/h3-4,6-7,15H,5,8-14H2,1-2H3,(H,22,25)(H,26,27)