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

Systemtic Name: 5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-2-amine Openeye Name: 5-(1-piperidylsulfonyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-2-amine CAS Name: 5-(1-piperidinylsulfonyl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-pyridin-1-iumamine IUPAC Name: 5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-2-amine Traditional Name: (5-piperidinosulfonylpyridin-1-ium-2-yl)-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amine Formula: C22H32N4O2S+2 MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C22H30N4O2S/c27-29(28,26-14-2-1-3-15-26)21-10-11-22(24-17-21)23-16-19-6-8-20(9-7-19)18-25-12-4-5-13-25/h6-11,17H,1-5,12-16,18H2,(H,23,24)/p+2