methyl-[[5-[(4-oxidanylcyclohexyl)carbamoyl]-6-oxidanylidene-1H-pyridin-2-yl]methyl]-(thiophen-3-ylmethyl)azanium

Systemtic Name: methyl-[[5-[(4-oxidanylcyclohexyl)carbamoyl]-6-oxidanylidene-1H-pyridin-2-yl]methyl]-(thiophen-3-ylmethyl)azanium Openeye Name: [5-[(4-hydroxycyclohexyl)carbamoyl]-6-oxo-1H-pyridin-2-yl]methyl-methyl-(3-thienylmethyl)ammonium CAS Name: [5-[[(4-hydroxycyclohexyl)amino]-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [5-[(4-hydroxycyclohexyl)carbamoyl]-6-oxo-1H-pyridin-2-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [5-[(4-hydroxycyclohexyl)carbamoyl]-6-keto-1H-pyridin-2-yl]methyl-methyl-(3-thenyl)ammonium Formula: C19H26N3O3S+ MolecularWeight: 376.49304

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CC2=CC=C(C(=O)N2)C(=O)NC3CCC(CC3)O

Isomeric SMILES

C[NH+](CC1=CSC=C1)CC2=CC=C(C(=O)N2)C(=O)NC3CCC(CC3)O

InChI

InChI=1S/C19H25N3O3S/c1-22(10-13-8-9-26-12-13)11-15-4-7-17(19(25)21-15)18(24)20-14-2-5-16(23)6-3-14/h4,7-9,12,14,16,23H,2-3,5-6,10-11H2,1H3,(H,20,24)(H,21,25)/p+1