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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H30N4O2S/c27-29(28,26-14-6-7-15-26)21-10-11-22(24-17-21)23-16-19-8-2-3-9-20(19)18-25-12-4-1-5-13-25/h2-3,8-11,17H,1,4-7,12-16,18H2,(H,23,24)/p+2