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

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-[(4-dimethylaminophenyl)methyl]-ethyl-azanium Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl]-[(4-dimethylaminophenyl)methyl]-ethyl-ammonium CAS Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(4-dimethylaminophenyl)methyl]-ethylammonium IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(4-dimethylaminophenyl)methyl]-ethylazanium Traditional Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl]-[4-(dimethylamino)benzyl]-ethyl-ammonium Formula: C19H29N4O+ MolecularWeight: 329.45976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O/c1-5-23(12-15-6-10-17(11-7-15)22(3)4)13-18(24)21-19(2,14-20)16-8-9-16/h6-7,10-11,16H,5,8-9,12-13H2,1-4H3,(H,21,24)/p+1/t19-/m1/s1