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

Systemtic Name: 4-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: 4-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]piperazin-4-ium-2-one Formula: C14H22N3O2+ MolecularWeight: 264.34338

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)C[NH+]2CCNC(=O)C2)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)C[NH+]2CCNC(=O)C2)C

InChI

InChI=1S/C14H21N3O2/c1-4-17-10(2)7-12(11(17)3)13(18)8-16-6-5-15-14(19)9-16/h7H,4-6,8-9H2,1-3H3,(H,15,19)/p+1