N-[(3-methoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[(3-methoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(3-methoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(3-methoxyphenyl)methyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(3-methoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: m-anisyl-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H21N3O3S/c1-23-15-6-4-5-14(11-15)12-18-17-8-7-16(13-19-17)24(21,22)20-9-2-3-10-20/h4-8,11,13H,2-3,9-10,12H2,1H3,(H,18,19)/p+1