N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-4-piperidinosulfonyl-benzamide Formula: C25H34N3O3S+ MolecularWeight: 456.62076

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H33N3O3S/c29-25(23-11-13-24(14-12-23)32(30,31)28-17-5-2-6-18-28)26-19-21-7-9-22(10-8-21)20-27-15-3-1-4-16-27/h7-14H,1-6,15-20H2,(H,26,29)/p+1