4-[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-2-one

Systemtic Name: 4-[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: 4-[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]piperazin-4-ium-2-one Formula: C15H24N3O2+ MolecularWeight: 278.36996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)C[NH+]2CCNC(=O)C2

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C15H23N3O2/c1-10(2)18-11(3)7-13(12(18)4)14(19)8-17-6-5-16-15(20)9-17/h7,10H,5-6,8-9H2,1-4H3,(H,16,20)/p+1