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

Systemtic Name: N-(4-piperidin-1-ylsulfonylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Openeye Name: N-[4-(1-piperidylsulfonyl)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide CAS Name: N-[4-(1-piperidinylsulfonyl)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide IUPAC Name: N-(4-piperidin-1-ylsulfonylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Traditional Name: N-(4-piperidinosulfonylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Formula: C28H32N3O3S+ MolecularWeight: 490.63698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H31N3O3S/c32-28(29-26-12-14-27(15-13-26)35(33,34)31-17-4-1-5-18-31)24-10-8-22(9-11-24)20-30-19-16-23-6-2-3-7-25(23)21-30/h2-3,6-15H,1,4-5,16-21H2,(H,29,32)/p+1