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

Systemtic Name: cycloheptyl-[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: cycloheptyl-[(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: cycloheptyl-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: cycloheptyl-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]azanium Traditional Name: cycloheptyl-[(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl]ammonium Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH2+]C2CCCCCC2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[NH2+]C2CCCCCC2

InChI

InChI=1S/C18H28N2O/c1-3-15-10-12-17(13-11-15)20-18(21)14(2)19-16-8-6-4-5-7-9-16/h10-14,16,19H,3-9H2,1-2H3,(H,20,21)/p+1/t14-/m0/s1