(2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)butanamide

Systemtic Name: (2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)butanamide Openeye Name: (2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-thiazol-2-yl-butanamide CAS Name: (2R)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-N-(2-thiazolyl)butanamide IUPAC Name: (2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)butanamide Traditional Name: (2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-thiazol-2-yl-butyramide Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC=CS1)[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CC[C@H](C(=O)NC1=NC=CS1)[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C18H24N4O2S/c1-3-14(17(23)20-18-19-8-13-25-18)21-9-11-22(12-10-21)15-6-4-5-7-16(15)24-2/h4-8,13-14H,3,9-12H2,1-2H3,(H,19,20,23)/p+1/t14-/m1/s1