N-cyclopropyl-2-[4-[4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[4-(5-methyl-2-thienyl)-4-oxo-butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[4-(5-methyl-2-thiophenyl)-1,4-dioxobutyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[4-keto-4-(5-methyl-2-thienyl)butanoyl]piperazin-1-ium-1-yl]acetamide Formula: C18H26N3O3S+ MolecularWeight: 364.48234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)N2CC[NH+](CC2)CC(=O)NC3CC3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)N2CC[NH+](CC2)CC(=O)NC3CC3

InChI

InChI=1S/C18H25N3O3S/c1-13-2-6-16(25-13)15(22)5-7-18(24)21-10-8-20(9-11-21)12-17(23)19-14-3-4-14/h2,6,14H,3-5,7-12H2,1H3,(H,19,23)/p+1