[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl]-methyl-(p-tolylmethyl)ammonium CAS Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl]-methyl-(4-methylbenzyl)ammonium Formula: C17H24N3O+ MolecularWeight: 286.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](C)CC(=O)NC(C)(C#N)C2CC2

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](C)CC(=O)N[C@](C)(C#N)C2CC2

InChI

InChI=1S/C17H23N3O/c1-13-4-6-14(7-5-13)10-20(3)11-16(21)19-17(2,12-18)15-8-9-15/h4-7,15H,8-11H2,1-3H3,(H,19,21)/p+1/t17-/m1/s1