2-methyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-methyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-methyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-methyl-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-methyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-methyl-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-5-piperidinosulfonyl-benzamide Formula: C26H36N3O3S+ MolecularWeight: 470.64734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C26H35N3O3S/c1-21-8-13-24(33(31,32)29-16-6-3-7-17-29)18-25(21)26(30)27-19-22-9-11-23(12-10-22)20-28-14-4-2-5-15-28/h8-13,18H,2-7,14-17,19-20H2,1H3,(H,27,30)/p+1