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

Systemtic Name: 4-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: 4-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl]piperazin-4-ium-2-one Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C20H25N3O2/c1-15-12-18(19(24)13-22-11-9-21-20(25)14-22)16(2)23(15)10-8-17-6-4-3-5-7-17/h3-7,12H,8-11,13-14H2,1-2H3,(H,21,25)/p+1