1-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-oxo-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-oxoethyl]-N-methyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]-N-methylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-keto-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)C[NH+]3CCC(CC3)C(=O)NC)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)C[NH+]3CCC(CC3)C(=O)NC)C

InChI

InChI=1S/C22H29N3O2/c1-15-5-7-19(8-6-15)25-16(2)13-20(17(25)3)21(26)14-24-11-9-18(10-12-24)22(27)23-4/h5-8,13,18H,9-12,14H2,1-4H3,(H,23,27)/p+1