N-(3-chloranyl-4-methyl-phenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide CAS Name: N-(3-chloro-4-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Formula: C24H24ClN2O+ MolecularWeight: 391.91316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3)Cl

InChI

InChI=1S/C24H23ClN2O/c1-17-6-11-22(14-23(17)25)26-24(28)20-9-7-18(8-10-20)15-27-13-12-19-4-2-3-5-21(19)16-27/h2-11,14H,12-13,15-16H2,1H3,(H,26,28)/p+1