(5-methyl-2-oxidanyl-phenyl)-piperazin-4-ium-1-yl-methanone

Systemtic Name: (5-methyl-2-oxidanyl-phenyl)-piperazin-4-ium-1-yl-methanone Openeye Name: (2-hydroxy-5-methyl-phenyl)-piperazin-4-ium-1-yl-methanone CAS Name: (2-hydroxy-5-methylphenyl)-(1-piperazin-4-iumyl)methanone IUPAC Name: (2-hydroxy-5-methylphenyl)-piperazin-4-ium-1-ylmethanone Traditional Name: (2-hydroxy-5-methyl-phenyl)-piperazin-4-ium-1-yl-methanone Formula: C12H17N2O2+ MolecularWeight: 221.27558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C12H16N2O2/c1-9-2-3-11(15)10(8-9)12(16)14-6-4-13-5-7-14/h2-3,8,13,15H,4-7H2,1H3/p+1