7-(4-methylphenyl)-N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-2,3-dihydro-1-benzothiepine-4-carboxamide iodide

Systemtic Name: 7-(4-methylphenyl)-N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-2,3-dihydro-1-benzothiepine-4-carboxamide iodide Openeye Name: N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzothiepine-4-carboxamide iodide CAS Name: 7-(4-methylphenyl)-N-[4-[(1-methyl-1-piperidin-1-iumyl)methyl]phenyl]-2,3-dihydro-1-benzothiepin-4-carboxamide iodide IUPAC Name: 7-(4-methylphenyl)-N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-2,3-dihydro-1-benzothiepine-4-carboxamide iodide Traditional Name: N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzothiepin-4-carboxamide iodide Formula: C31H35IN2OS MolecularWeight: 610.59187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)SCCC(=C3)C(=O)NC4=CC=C(C=C4)C[N+]5(CCCCC5)C.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)SCCC(=C3)C(=O)NC4=CC=C(C=C4)C[N+]5(CCCCC5)C.[I-]

InChI

InChI=1S/C31H34N2OS.HI/c1-23-6-10-25(11-7-23)26-12-15-30-28(20-26)21-27(16-19-35-30)31(34)32-29-13-8-24(9-14-29)22-33(2)17-4-3-5-18-33;/h6-15,20-21H,3-5,16-19,22H2,1-2H3;1H