N-[4-(1,1-dimethylpiperidin-1-ium-2-yl)carbonylphenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: N-[4-(1,1-dimethylpiperidin-1-ium-2-yl)carbonylphenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[4-(1,1-dimethylpiperidin-1-ium-2-carbonyl)phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-[4-[(1,1-dimethyl-2-piperidin-1-iumyl)-oxomethyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-[4-(1,1-dimethylpiperidin-1-ium-2-carbonyl)phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[4-(1,1-dimethylpiperidin-1-ium-2-carbonyl)phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C32H35N2O3+ MolecularWeight: 495.6319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)C(=O)C5CCCC[N+]5(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)C(=O)C5CCCC[N+]5(C)C

InChI

InChI=1S/C32H34N2O3/c1-22-7-9-23(10-8-22)25-13-16-30-27(20-25)21-26(17-19-37-30)32(36)33-28-14-11-24(12-15-28)31(35)29-6-4-5-18-34(29,2)3/h7-16,20-21,29H,4-6,17-19H2,1-3H3/p+1