[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-(2-nitrophenyl)sulfonyl-azanide

Systemtic Name: [4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-(2-nitrophenyl)sulfonyl-azanide Openeye Name: [4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-(2-nitrophenyl)sulfonyl-azanide CAS Name: [4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]phenyl]-(2-nitrophenyl)sulfonylazanide IUPAC Name: [4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-(2-nitrophenyl)sulfonylazanide Traditional Name: [4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-(2-nitrophenyl)sulfonyl-azanide Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC=C(C=C2)[N-]S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC=C(C=C2)[N-]S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H22N3O4S/c1-15-5-4-12-21(13-15)14-16-8-10-17(11-9-16)20-27(25,26)19-7-3-2-6-18(19)22(23)24/h2-3,6-11,15H,4-5,12-14H2,1H3/q-1/p+1/t15-/m0/s1