(1Z)-N-(phenylsulfonyl)-2-pyridin-1-ium-1-yl-pentanimidate

Systemtic Name: (1Z)-N-(phenylsulfonyl)-2-pyridin-1-ium-1-yl-pentanimidate Openeye Name: (1Z)-N-(benzenesulfonyl)-2-pyridin-1-ium-1-yl-pentanimidate CAS Name: (1Z)-N-(benzenesulfonyl)-2-(1-pyridin-1-iumyl)pentanimidate IUPAC Name: (1Z)-N-(benzenesulfonyl)-2-pyridin-1-ium-1-ylpentanimidate Traditional Name: (1Z)-N-besyl-2-pyridin-1-ium-1-yl-valerimidate Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=NS(=O)(=O)C1=CC=CC=C1)[O-])[N+]2=CC=CC=C2

Isomeric SMILES

CCCC(/C(=N/S(=O)(=O)C1=CC=CC=C1)/[O-])[N+]2=CC=CC=C2

InChI

InChI=1S/C16H18N2O3S/c1-2-9-15(18-12-7-4-8-13-18)16(19)17-22(20,21)14-10-5-3-6-11-14/h3-8,10-13,15H,2,9H2,1H3