N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C17H26N5O2S+ MolecularWeight: 364.48564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=CC(=NN1CCCNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C17H25N5O2S/c1-14-12-15(2)22(20-14)11-5-8-18-17-7-6-16(13-19-17)25(23,24)21-9-3-4-10-21/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,18,19)/p+1