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

Systemtic Name: N-(2-pyrrolidin-1-ylcarbonylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Openeye Name: N-[2-(pyrrolidine-1-carbonyl)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide CAS Name: N-[2-[oxo(1-pyrrolidinyl)methyl]phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide IUPAC Name: N-[2-(pyrrolidine-1-carbonyl)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Traditional Name: N-[2-(pyrrolidine-1-carbonyl)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Formula: C28H30N3O2+ MolecularWeight: 440.5567

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)C[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)C[NH+]4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H29N3O2/c32-27(29-26-10-4-3-9-25(26)28(33)31-16-5-6-17-31)23-13-11-21(12-14-23)19-30-18-15-22-7-1-2-8-24(22)20-30/h1-4,7-14H,5-6,15-20H2,(H,29,32)/p+1