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

Systemtic Name: 4-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: 4-[2-keto-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethyl]piperazin-4-ium-2-one Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-15-12-19(20(25)13-23-11-9-22-21(26)14-23)16(2)24(15)10-8-17-4-6-18(27-3)7-5-17/h4-7,12H,8-11,13-14H2,1-3H3,(H,22,26)/p+1