N'-(2-methylpropyl)-N-(4-phenylazanylpyridin-1-ium-3-yl)sulfonyl-carbamimidate

Systemtic Name: N'-(2-methylpropyl)-N-(4-phenylazanylpyridin-1-ium-3-yl)sulfonyl-carbamimidate Openeye Name: N-(4-anilinopyridin-1-ium-3-yl)sulfonyl-N'-isobutyl-carbamimidate CAS Name: N-[(4-anilino-3-pyridin-1-iumyl)sulfonyl]-N'-(2-methylpropyl)carbamimidate IUPAC Name: N-(4-anilinopyridin-1-ium-3-yl)sulfonyl-N'-(2-methylpropyl)carbamimidate Traditional Name: N-(4-anilinopyridin-1-ium-3-yl)sulfonyl-N'-isobutyl-carbamimidate Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN=C(NS(=O)(=O)C1=C(C=C[NH+]=C1)NC2=CC=CC=C2)[O-]

Isomeric SMILES

CC(C)CN=C(NS(=O)(=O)C1=C(C=C[NH+]=C1)NC2=CC=CC=C2)[O-]

InChI

InChI=1S/C16H20N4O3S/c1-12(2)10-18-16(21)20-24(22,23)15-11-17-9-8-14(15)19-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H,17,19)(H2,18,20,21)