3-[2-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propylamino]-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylate

Systemtic Name: 3-[2-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propylamino]-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylate Openeye Name: 3-[2-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propylamino]-2-oxo-ethyl]-1-methyl-indole-2-carboxylate CAS Name: 3-[2-[3-(3,5-dimethyl-1-piperidin-1-iumyl)propylamino]-2-oxoethyl]-1-methyl-2-indolecarboxylate IUPAC Name: 3-[2-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propylamino]-2-oxoethyl]-1-methylindole-2-carboxylate Traditional Name: 3-[2-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propylamino]-2-keto-ethyl]-1-methyl-indole-2-carboxylate Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCCNC(=O)CC2=C(N(C3=CC=CC=C32)C)C(=O)[O-])C

Isomeric SMILES

CC1CC(C[NH+](C1)CCCNC(=O)CC2=C(N(C3=CC=CC=C32)C)C(=O)[O-])C

InChI

InChI=1S/C22H31N3O3/c1-15-11-16(2)14-25(13-15)10-6-9-23-20(26)12-18-17-7-4-5-8-19(17)24(3)21(18)22(27)28/h4-5,7-8,15-16H,6,9-14H2,1-3H3,(H,23,26)(H,27,28)