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

Systemtic Name: N-butyl-2-[4-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[2-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[2-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-keto-ethyl]piperazin-1-ium-1-yl]acetamide Formula: C23H35N4O2S+ MolecularWeight: 431.6146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)CC(=O)C2=C(N(C(=C2)C)CC3=CC=CS3)C

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)CC(=O)C2=C(N(C(=C2)C)CC3=CC=CS3)C

InChI

InChI=1S/C23H34N4O2S/c1-4-5-8-24-23(29)17-26-11-9-25(10-12-26)16-22(28)21-14-18(2)27(19(21)3)15-20-7-6-13-30-20/h6-7,13-14H,4-5,8-12,15-17H2,1-3H3,(H,24,29)/p+1