N-[4-[(1-methylazepan-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide

Systemtic Name: N-[4-[(1-methylazepan-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide Openeye Name: N-[4-[(1-methylazepan-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide CAS Name: N-[4-[(1-methyl-1-azepan-1-iumyl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide IUPAC Name: N-[4-[(1-methylazepan-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide Traditional Name: N-[4-[(1-methylazepan-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide Formula: C31H35N2O+ MolecularWeight: 451.6224

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCC1)CC2=CC=C(C=C2)NC(=O)C3=CC4=C(CC3)C=CC(=C4)C5=CC=CC=C5

Isomeric SMILES

C[N+]1(CCCCCC1)CC2=CC=C(C=C2)NC(=O)C3=CC4=C(CC3)C=CC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H34N2O/c1-33(19-7-2-3-8-20-33)23-24-11-17-30(18-12-24)32-31(34)28-16-14-26-13-15-27(21-29(26)22-28)25-9-5-4-6-10-25/h4-6,9-13,15,17-18,21-22H,2-3,7-8,14,16,19-20,23H2,1H3/p+1