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

Systemtic Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: [4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C21H30N4O2S+2 MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H28N4O2S/c26-28(27,25-13-3-4-14-25)20-9-10-21(23-16-20)22-15-18-5-7-19(8-6-18)17-24-11-1-2-12-24/h5-10,16H,1-4,11-15,17H2,(H,22,23)/p+2