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

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(4-dimethylaminophenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(4-dimethylaminophenyl)methyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: dimethyl-[4-[[(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amino]methyl]phenyl]amine Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H24N4O2S/c1-21(2)16-7-5-15(6-8-16)13-19-18-10-9-17(14-20-18)25(23,24)22-11-3-4-12-22/h5-10,14H,3-4,11-13H2,1-2H3,(H,19,20)/p+1