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

Systemtic Name: ethyl-[[5-[(4-oxidanylcyclohexyl)carbamoyl]-6-oxidanylidene-1H-pyridin-2-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[[5-[(4-hydroxycyclohexyl)carbamoyl]-6-oxo-1H-pyridin-2-yl]methyl]ammonium CAS Name: ethyl-[[5-[[(4-hydroxycyclohexyl)amino]-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[[5-[(4-hydroxycyclohexyl)carbamoyl]-6-oxo-1H-pyridin-2-yl]methyl]azanium Traditional Name: benzyl-ethyl-[[5-[(4-hydroxycyclohexyl)carbamoyl]-6-keto-1H-pyridin-2-yl]methyl]ammonium Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3/c1-2-25(14-16-6-4-3-5-7-16)15-18-10-13-20(22(28)24-18)21(27)23-17-8-11-19(26)12-9-17/h3-7,10,13,17,19,26H,2,8-9,11-12,14-15H2,1H3,(H,23,27)(H,24,28)/p+1