4-[4-(aminomethyl)-2,5-dimethyl-1H-pyrazol-3-ylidene]piperazin-4-ium-2-one

Systemtic Name: 4-[4-(aminomethyl)-2,5-dimethyl-1H-pyrazol-3-ylidene]piperazin-4-ium-2-one Openeye Name: 4-[4-(aminomethyl)-2,5-dimethyl-1H-pyrazol-3-ylidene]piperazin-4-ium-2-one CAS Name: 4-[4-(aminomethyl)-2,5-dimethyl-1H-pyrazol-3-ylidene]-2-piperazin-4-iumone IUPAC Name: 4-[4-(aminomethyl)-2,5-dimethyl-1H-pyrazol-3-ylidene]piperazin-4-ium-2-one Traditional Name: 4-[4-(aminomethyl)-2,5-dimethyl-3-pyrazolin-3-ylidene]piperazin-4-ium-2-one Formula: C10H18N5O+ MolecularWeight: 224.28282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[N+]2CCNC(=O)C2)N(N1)C)CN

Isomeric SMILES

CC1=C(C(=[N+]2CCNC(=O)C2)N(N1)C)CN

InChI

InChI=1S/C10H17N5O/c1-7-8(5-11)10(14(2)13-7)15-4-3-12-9(16)6-15/h3-6,11H2,1-2H3,(H,12,16)/p+1