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

Systemtic Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-2-amine Openeye Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-2-amine CAS Name: N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridinamine IUPAC Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine Traditional Name: [2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-(5-pyrrolidinosulfonyl-2-pyridyl)amine Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H28N4O2S/c26-28(27,25-13-5-6-14-25)20-9-10-21(23-16-20)22-15-18-7-1-2-8-19(18)17-24-11-3-4-12-24/h1-2,7-10,16H,3-6,11-15,17H2,(H,22,23)/p+1