2-[4-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-oxoethyl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethyl]piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-keto-ethyl]piperazin-1-ium-1-yl]acetamide Formula: C23H33N4O2S+ MolecularWeight: 429.59872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CN3CC[NH+](CC3)CC(=O)NCC=C

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CN3CC[NH+](CC3)CC(=O)NCC=C

InChI

InChI=1S/C23H32N4O2S/c1-4-8-24-23(29)17-26-12-10-25(11-13-26)16-22(28)21-15-18(2)27(19(21)3)9-7-20-6-5-14-30-20/h4-6,14-15H,1,7-13,16-17H2,2-3H3,(H,24,29)/p+1