[5-(4-methoxy-3-methyl-phenyl)-1-methyl-pyrazol-3-yl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [5-(4-methoxy-3-methyl-phenyl)-1-methyl-pyrazol-3-yl]-piperazin-4-ium-1-yl-methanone Openeye Name: [5-(4-methoxy-3-methyl-phenyl)-1-methyl-pyrazol-3-yl]-piperazin-4-ium-1-yl-methanone CAS Name: [5-(4-methoxy-3-methylphenyl)-1-methyl-3-pyrazolyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [5-(4-methoxy-3-methylphenyl)-1-methylpyrazol-3-yl]-piperazin-4-ium-1-ylmethanone Traditional Name: [5-(4-methoxy-3-methyl-phenyl)-1-methyl-pyrazol-3-yl]-piperazin-4-ium-1-yl-methanone Formula: C17H23N4O2+ MolecularWeight: 315.39012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=NN2C)C(=O)N3CC[NH2+]CC3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=NN2C)C(=O)N3CC[NH2+]CC3)OC

InChI

InChI=1S/C17H22N4O2/c1-12-10-13(4-5-16(12)23-3)15-11-14(19-20(15)2)17(22)21-8-6-18-7-9-21/h4-5,10-11,18H,6-9H2,1-3H3/p+1