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

Systemtic Name: N-[4-[(1-ethylpiperidin-1-ium-1-yl)methyl]phenyl]-7-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[4-[(1-ethylpiperidin-1-ium-1-yl)methyl]phenyl]-7-(p-tolyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[4-[(1-ethyl-1-piperidin-1-iumyl)methyl]phenyl]-7-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[4-[(1-ethylpiperidin-1-ium-1-yl)methyl]phenyl]-7-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[4-[(1-ethylpiperidin-1-ium-1-yl)methyl]phenyl]-7-(p-tolyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C31H38N3O+ MolecularWeight: 468.65292

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1)CC2=CC=C(C=C2)NC(=O)N3CCC4=C(C3)C=C(C=C4)C5=CC=C(C=C5)C

Isomeric SMILES

CC[N+]1(CCCCC1)CC2=CC=C(C=C2)NC(=O)N3CCC4=C(C3)C=C(C=C4)C5=CC=C(C=C5)C

InChI

InChI=1S/C31H37N3O/c1-3-34(19-5-4-6-20-34)23-25-9-15-30(16-10-25)32-31(35)33-18-17-27-13-14-28(21-29(27)22-33)26-11-7-24(2)8-12-26/h7-16,21H,3-6,17-20,22-23H2,1-2H3/p+1