N-[2-(butylamino)-2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-ium-8-yl]ethanamide

Systemtic Name: N-[2-(butylamino)-2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-ium-8-yl]ethanamide Openeye Name: N-[2-(butylamino)-2-methyl-4-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-ium-8-yl]acetamide CAS Name: N-[2-(butylamino)-2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-ium-8-yl]acetamide IUPAC Name: N-[2-(butylamino)-2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-ium-8-yl]acetamide Traditional Name: N-[2-(butylamino)-2-methyl-4-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-ium-8-yl]acetamide Formula: C23H32N3O+ MolecularWeight: 366.51968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN[N+]1(CC(C2=C(C1)C(=CC=C2)NC(=O)C)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCCCN[N+]1(CC(C2=C(C1)C(=CC=C2)NC(=O)C)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C23H31N3O/c1-5-6-14-24-26(4)15-21(19-12-10-17(2)11-13-19)20-8-7-9-23(22(20)16-26)25-18(3)27/h7-13,21,24H,5-6,14-16H2,1-4H3/p+1