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

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-[(4-dimethylaminophenyl)methyl]-methyl-azanium Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl]-[(4-dimethylaminophenyl)methyl]-methyl-ammonium CAS Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(4-dimethylaminophenyl)methyl]-methylammonium IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(4-dimethylaminophenyl)methyl]-methylazanium Traditional Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl]-[4-(dimethylamino)benzyl]-methyl-ammonium Formula: C18H27N4O+ MolecularWeight: 315.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)N(C)C

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C18H26N4O/c1-18(13-19,15-7-8-15)20-17(23)12-22(4)11-14-5-9-16(10-6-14)21(2)3/h5-6,9-10,15H,7-8,11-12H2,1-4H3,(H,20,23)/p+1/t18-/m0/s1