[2-(2-cyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]-dimethyl-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethyl]azanium

Systemtic Name: [2-(2-cyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]-dimethyl-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethyl]azanium Openeye Name: [2-(2-cyanopyrrolidin-1-yl)-2-oxo-ethyl]-dimethyl-[2-(5-methyl-2-phenyl-thiazol-4-yl)ethyl]ammonium CAS Name: [2-(2-cyano-1-pyrrolidinyl)-2-oxoethyl]-dimethyl-[2-(5-methyl-2-phenyl-4-thiazolyl)ethyl]ammonium IUPAC Name: [2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]-dimethyl-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethyl]azanium Traditional Name: [2-(2-cyanopyrrolidino)-2-keto-ethyl]-dimethyl-[2-(5-methyl-2-phenyl-thiazol-4-yl)ethyl]ammonium Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)C2=CC=CC=C2)CC[N+](C)(C)CC(=O)N3CCCC3C#N

Isomeric SMILES

CC1=C(N=C(S1)C2=CC=CC=C2)CC[N+](C)(C)CC(=O)N3CCCC3C#N

InChI

InChI=1S/C21H27N4OS/c1-16-19(23-21(27-16)17-8-5-4-6-9-17)11-13-25(2,3)15-20(26)24-12-7-10-18(24)14-22/h4-6,8-9,18H,7,10-13,15H2,1-3H3/q+1