[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone

Systemtic Name: [(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone Openeye Name: (5-methyl-1H-pyrazol-4-yl)-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]methanone CAS Name: [(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-(5-methyl-1H-pyrazol-4-yl)methanone IUPAC Name: [(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone Traditional Name: (5-methyl-1H-pyrazol-4-yl)-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]methanone Formula: C21H30N5O+ MolecularWeight: 368.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)C4=C(NN=C4)C

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C4=C(NN=C4)C

InChI

InChI=1S/C21H29N5O/c1-16-6-3-4-8-20(16)25-12-10-24(11-13-25)18-7-5-9-26(15-18)21(27)19-14-22-23-17(19)2/h3-4,6,8,14,18H,5,7,9-13,15H2,1-2H3,(H,22,23)/p+1/t18-/m0/s1