N-cyclopentyl-6-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide

Systemtic Name: N-cyclopentyl-6-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide Openeye Name: N-cyclopentyl-6-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide CAS Name: N-cyclopentyl-6-[[4-(1-piperidin-1-iumylmethyl)phenyl]methylamino]-3-pyridinesulfonamide IUPAC Name: N-cyclopentyl-6-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide Traditional Name: N-cyclopentyl-6-[[4-(piperidin-1-ium-1-ylmethyl)benzyl]amino]pyridine-3-sulfonamide Formula: C23H33N4O2S+ MolecularWeight: 429.59872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC3=NC=C(C=C3)S(=O)(=O)NC4CCCC4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC3=NC=C(C=C3)S(=O)(=O)NC4CCCC4

InChI

InChI=1S/C23H32N4O2S/c28-30(29,26-21-6-2-3-7-21)22-12-13-23(25-17-22)24-16-19-8-10-20(11-9-19)18-27-14-4-1-5-15-27/h8-13,17,21,26H,1-7,14-16,18H2,(H,24,25)/p+1