(4-azanyl-3-oxidanyl-phenyl)-(1-methylpiperazin-1-ium-1-yl)methanone

Systemtic Name: (4-azanyl-3-oxidanyl-phenyl)-(1-methylpiperazin-1-ium-1-yl)methanone Openeye Name: (4-amino-3-hydroxy-phenyl)-(1-methylpiperazin-1-ium-1-yl)methanone CAS Name: (4-amino-3-hydroxyphenyl)-(1-methyl-1-piperazin-1-iumyl)methanone IUPAC Name: (4-amino-3-hydroxyphenyl)-(1-methylpiperazin-1-ium-1-yl)methanone Traditional Name: (4-amino-3-hydroxy-phenyl)-(1-methylpiperazin-1-ium-1-yl)methanone Formula: C12H18N3O2+ MolecularWeight: 236.29022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)C(=O)C2=CC(=C(C=C2)N)O

Isomeric SMILES

C[N+]1(CCNCC1)C(=O)C2=CC(=C(C=C2)N)O

InChI

InChI=1S/C12H17N3O2/c1-15(6-4-14-5-7-15)12(17)9-2-3-10(13)11(16)8-9/h2-3,8,14H,4-7H2,1H3,(H2-,13,16,17)/p+1