4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: 4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-[4-(1-piperidylsulfonyl)phenyl]benzamide CAS Name: 4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(4-piperidinosulfonylphenyl)benzamide Formula: C31H38N3O3S+ MolecularWeight: 532.71672

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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+]4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H37N3O3S/c35-31(32-29-13-15-30(16-14-29)38(36,37)34-19-5-2-6-20-34)28-11-9-27(10-12-28)24-33-21-17-26(18-22-33)23-25-7-3-1-4-8-25/h1,3-4,7-16,26H,2,5-6,17-24H2,(H,32,35)/p+1