cycloheptyl-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: cycloheptyl-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: cycloheptyl-[(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl]ammonium CAS Name: cycloheptyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: cycloheptyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium Traditional Name: cycloheptyl-[(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl]ammonium Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)[NH2+]C2CCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)[NH2+]C2CCCCCC2

InChI

InChI=1S/C17H26N2O/c1-13-9-11-16(12-10-13)19-17(20)14(2)18-15-7-5-3-4-6-8-15/h9-12,14-15,18H,3-8H2,1-2H3,(H,19,20)/p+1/t14-/m0/s1