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

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-[(4-ethoxyphenyl)methyl]-methyl-azanium Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl]-[(4-ethoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium Traditional Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl]-(4-ethoxybenzyl)-methyl-ammonium Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](C)CC(=O)NC(C)(C#N)C2CC2

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](C)CC(=O)N[C@](C)(C#N)C2CC2

InChI

InChI=1S/C18H25N3O2/c1-4-23-16-9-5-14(6-10-16)11-21(3)12-17(22)20-18(2,13-19)15-7-8-15/h5-6,9-10,15H,4,7-8,11-12H2,1-3H3,(H,20,22)/p+1/t18-/m1/s1