4-pyridin-1-ium-1-ylbutyl [2-[(1-azanyl-3-methyl-1-oxidanylidene-pentan-2-yl)carbamoyl]phenyl]sulfanylmethanoate chloride

Systemtic Name: 4-pyridin-1-ium-1-ylbutyl [2-[(1-azanyl-3-methyl-1-oxidanylidene-pentan-2-yl)carbamoyl]phenyl]sulfanylmethanoate chloride Openeye Name: 4-pyridin-1-ium-1-ylbutyl [2-[(1-carbamoyl-2-methyl-butyl)carbamoyl]phenyl]sulfanylformate chloride CAS Name: [[2-[[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-oxomethyl]phenyl]thio]formic acid 4-(1-pyridin-1-iumyl)butyl ester chloride IUPAC Name: 4-pyridin-1-ium-1-ylbutyl [2-[(1-amino-3-methyl-1-oxopentan-2-yl)carbamoyl]phenyl]sulfanylformate chloride Traditional Name: [[2-[(1-carbamoyl-2-methyl-butyl)carbamoyl]phenyl]thio]formic acid 4-pyridin-1-ium-1-ylbutyl ester chloride Formula: C23H30ClN3O4S MolecularWeight: 480.02

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)OCCCC[N+]2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCC(C)C(C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)OCCCC[N+]2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C23H29N3O4S.ClH/c1-3-17(2)20(21(24)27)25-22(28)18-11-5-6-12-19(18)31-23(29)30-16-10-9-15-26-13-7-4-8-14-26;/h4-8,11-14,17,20H,3,9-10,15-16H2,1-2H3,(H2-,24,25,27,28);1H