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

Systemtic Name: N-propyl-2-[[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]carbonylamino]benzamide Openeye Name: N-propyl-2-[[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoyl]amino]benzamide CAS Name: 2-[[oxo-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]methyl]amino]-N-propylbenzamide IUPAC Name: N-propyl-2-[[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoyl]amino]benzamide Traditional Name: N-propyl-2-[[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoyl]amino]benzamide Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O2/c1-2-16-28-27(32)24-9-5-6-10-25(24)29-26(31)22-13-11-20(12-14-22)18-30-17-15-21-7-3-4-8-23(21)19-30/h3-14H,2,15-19H2,1H3,(H,28,32)(H,29,31)/p+1