(4S)-5-azanyl-1-cyclohexyl-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,4-dihydropyrrol-1-ium-3-one

Systemtic Name: (4S)-5-azanyl-1-cyclohexyl-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,4-dihydropyrrol-1-ium-3-one Openeye Name: (4S)-5-amino-1-cyclohexyl-4-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-2,4-dihydropyrrol-1-ium-3-one CAS Name: (4S)-5-amino-1-cyclohexyl-4-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-2,4-dihydropyrrol-1-ium-3-one IUPAC Name: (4S)-5-amino-1-cyclohexyl-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,4-dihydropyrrol-1-ium-3-one Traditional Name: (4S)-5-amino-1-cyclohexyl-4-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-1-pyrrolin-1-ium-3-one Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)C3C(=O)C[N+](=C3N)C4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)[C@@H]3C(=O)C[N+](=C3N)C4CCCCC4)OC

InChI

InChI=1S/C21H25N3O3S/c1-26-17-9-8-13(10-18(17)27-2)15-12-28-21(23-15)19-16(25)11-24(20(19)22)14-6-4-3-5-7-14/h8-10,12,14,19,22H,3-7,11H2,1-2H3/p+1/t19-/m1/s1