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

Systemtic Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Openeye Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide CAS Name: N-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide IUPAC Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Traditional Name: N-(4-pyrrolidinosulfonylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Formula: C27H30N3O3S+ MolecularWeight: 476.6104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O3S/c31-27(28-25-11-13-26(14-12-25)34(32,33)30-16-3-4-17-30)23-9-7-21(8-10-23)19-29-18-15-22-5-1-2-6-24(22)20-29/h1-2,5-14H,3-4,15-20H2,(H,28,31)/p+1