N-butyl-2-[[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]carbonylamino]benzamide

Systemtic Name: N-butyl-2-[[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]carbonylamino]benzamide Openeye Name: N-butyl-2-[[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoyl]amino]benzamide CAS Name: N-butyl-2-[[oxo-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]methyl]amino]benzamide IUPAC Name: N-butyl-2-[[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoyl]amino]benzamide Traditional Name: N-butyl-2-[[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoyl]amino]benzamide Formula: C28H32N3O2+ MolecularWeight: 442.57258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CCCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C28H31N3O2/c1-2-3-17-29-28(33)25-10-6-7-11-26(25)30-27(32)23-14-12-21(13-15-23)19-31-18-16-22-8-4-5-9-24(22)20-31/h4-15H,2-3,16-20H2,1H3,(H,29,33)(H,30,32)/p+1