7-methyl-4-[(4-phenylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one chloride

Systemtic Name: 7-methyl-4-[(4-phenylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one chloride Openeye Name: 7-methyl-4-[(4-phenylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one chloride CAS Name: 7-methyl-4-[(4-phenyl-1-piperidin-1-iumyl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one chloride IUPAC Name: 7-methyl-4-[(4-phenylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one chloride Traditional Name: 7-methyl-4-[(4-phenylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one chloride Formula: C23H28ClNO2 MolecularWeight: 385.92692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCCC(C2=O)C[NH+]3CCC(CC3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C1)OCCC(C2=O)C[NH+]3CCC(CC3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C23H27NO2.ClH/c1-17-7-8-22-21(15-17)23(25)20(11-14-26-22)16-24-12-9-19(10-13-24)18-5-3-2-4-6-18;/h2-8,15,19-20H,9-14,16H2,1H3;1H