N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)propanamide

Systemtic Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)propanamide Openeye Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)propanamide CAS Name: N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-3-(1-propyl-5-sulfamoyl-2-benzimidazolyl)propanamide IUPAC Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide Traditional Name: N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-3-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)propionamide Formula: C26H36N5O3S+ MolecularWeight: 498.66074

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C26H35N5O3S/c1-2-14-31-24-11-10-22(35(27,33)34)17-23(24)29-25(31)12-13-26(32)28-18-20-6-8-21(9-7-20)19-30-15-4-3-5-16-30/h6-11,17H,2-5,12-16,18-19H2,1H3,(H,28,32)(H2,27,33,34)/p+1