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

Systemtic Name: methyl-[[5-[(4-oxidanylcyclohexyl)carbamoyl]-6-oxidanylidene-1H-pyridin-2-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[[5-[(4-hydroxycyclohexyl)carbamoyl]-6-oxo-1H-pyridin-2-yl]methyl]-methyl-ammonium CAS Name: [5-[[(4-hydroxycyclohexyl)amino]-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[5-[(4-hydroxycyclohexyl)carbamoyl]-6-oxo-1H-pyridin-2-yl]methyl]-methylazanium Traditional Name: benzyl-[[5-[(4-hydroxycyclohexyl)carbamoyl]-6-keto-1H-pyridin-2-yl]methyl]-methyl-ammonium Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-24(13-15-5-3-2-4-6-15)14-17-9-12-19(21(27)23-17)20(26)22-16-7-10-18(25)11-8-16/h2-6,9,12,16,18,25H,7-8,10-11,13-14H2,1H3,(H,22,26)(H,23,27)/p+1