[(2S)-4-[(4-methoxyphenyl)amino]-4-oxidanylidene-butan-2-yl]-(4-oxidanylcyclohexyl)azanium

Systemtic Name: [(2S)-4-[(4-methoxyphenyl)amino]-4-oxidanylidene-butan-2-yl]-(4-oxidanylcyclohexyl)azanium Openeye Name: (4-hydroxycyclohexyl)-[(1S)-3-(4-methoxyanilino)-1-methyl-3-oxo-propyl]ammonium CAS Name: (4-hydroxycyclohexyl)-[(2S)-4-(4-methoxyanilino)-4-oxobutan-2-yl]ammonium IUPAC Name: (4-hydroxycyclohexyl)-[(2S)-4-(4-methoxyanilino)-4-oxobutan-2-yl]azanium Traditional Name: (4-hydroxycyclohexyl)-[(1S)-3-keto-1-methyl-3-(p-anisidino)propyl]ammonium Formula: C17H27N2O3+ MolecularWeight: 307.40788

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=C(C=C1)OC)[NH2+]C2CCC(CC2)O

Isomeric SMILES

C[C@@H](CC(=O)NC1=CC=C(C=C1)OC)[NH2+]C2CCC(CC2)O

InChI

InChI=1S/C17H26N2O3/c1-12(18-13-3-7-15(20)8-4-13)11-17(21)19-14-5-9-16(22-2)10-6-14/h5-6,9-10,12-13,15,18,20H,3-4,7-8,11H2,1-2H3,(H,19,21)/p+1/t12-,13?,15?/m0/s1