N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)butanamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)butanamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(4-methyl-2-oxo-thiazol-3-yl)butanamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-(4-methyl-2-oxo-3-thiazolyl)butanamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide Traditional Name: 4-(2-keto-4-methyl-4-thiazolin-3-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]butyramide Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=O)N1CCCC(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCC3

Isomeric SMILES

CC1=CSC(=O)N1CCCC(=O)NC[C@@H](C2=CC=C(C=C2)OC)[NH+]3CCCC3

InChI

InChI=1S/C21H29N3O3S/c1-16-15-28-21(26)24(16)13-5-6-20(25)22-14-19(23-11-3-4-12-23)17-7-9-18(27-2)10-8-17/h7-10,15,19H,3-6,11-14H2,1-2H3,(H,22,25)/p+1/t19-/m0/s1