4-(4-methylphenyl)-1-oxidanylidene-N-(2-piperidin-1-ium-1-ylethyl)isochromene-3-carboxamide

Systemtic Name: 4-(4-methylphenyl)-1-oxidanylidene-N-(2-piperidin-1-ium-1-ylethyl)isochromene-3-carboxamide Openeye Name: 1-oxo-N-(2-piperidin-1-ium-1-ylethyl)-4-(p-tolyl)isochromene-3-carboxamide CAS Name: 4-(4-methylphenyl)-1-oxo-N-[2-(1-piperidin-1-iumyl)ethyl]-2-benzopyran-3-carboxamide IUPAC Name: 4-(4-methylphenyl)-1-oxo-N-(2-piperidin-1-ium-1-ylethyl)isochromene-3-carboxamide Traditional Name: 1-keto-N-(2-piperidin-1-ium-1-ylethyl)-4-(p-tolyl)isochromene-3-carboxamide Formula: C24H27N2O3+ MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)NCC[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)NCC[NH+]4CCCCC4

InChI

InChI=1S/C24H26N2O3/c1-17-9-11-18(12-10-17)21-19-7-3-4-8-20(19)24(28)29-22(21)23(27)25-13-16-26-14-5-2-6-15-26/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,25,27)/p+1