N-(cyclopentylideneamino)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide

Systemtic Name: N-(cyclopentylideneamino)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Openeye Name: N-(cyclopentylideneamino)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide CAS Name: N-(cyclopentylideneamino)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide IUPAC Name: N-(cyclopentylideneamino)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Traditional Name: N-(cyclopentylideneamino)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Formula: C22H26N3O+ MolecularWeight: 348.46134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NNC(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3)C1

Isomeric SMILES

C1CCC(=NNC(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3)C1

InChI

InChI=1S/C22H25N3O/c26-22(24-23-21-7-3-4-8-21)19-11-9-17(10-12-19)15-25-14-13-18-5-1-2-6-20(18)16-25/h1-2,5-6,9-12H,3-4,7-8,13-16H2,(H,24,26)/p+1