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

Systemtic Name: 7-(4-methylphenyl)-N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-7-(p-tolyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 7-(4-methylphenyl)-N-[4-[(1-methyl-1-piperidin-1-iumyl)methyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 7-(4-methylphenyl)-N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-7-(p-tolyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C30H36N3O+ MolecularWeight: 454.62634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(CCN(C3)C(=O)NC4=CC=C(C=C4)C[N+]5(CCCCC5)C)C=C2

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(CCN(C3)C(=O)NC4=CC=C(C=C4)C[N+]5(CCCCC5)C)C=C2

InChI

InChI=1S/C30H35N3O/c1-23-6-10-25(11-7-23)27-13-12-26-16-17-32(21-28(26)20-27)30(34)31-29-14-8-24(9-15-29)22-33(2)18-4-3-5-19-33/h6-15,20H,3-5,16-19,21-22H2,1-2H3/p+1