[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

Systemtic Name: [(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone Openeye Name: (2-methylpyrazol-3-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]-(2-methyl-3-pyrazolyl)methanone IUPAC Name: [(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone Traditional Name: (2-methylpyrazol-3-yl)-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]methanone Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)C4=CC=NN4C

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C4=CC=NN4C

InChI

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