1-(4-methoxyphenyl)-4-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(4-methoxyphenyl)-4-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(4-methoxyphenyl)-4-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-1-ium-3-yl]piperazine CAS Name: 1-(4-methoxyphenyl)-4-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(4-methoxyphenyl)-4-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(4-methoxyphenyl)-4-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-1-ium-3-yl]piperazine Formula: C21H32N5O+ MolecularWeight: 370.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=NN1)C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H31N5O/c1-17-14-18(23-22-17)15-24-9-3-4-20(16-24)26-12-10-25(11-13-26)19-5-7-21(27-2)8-6-19/h5-8,14,20H,3-4,9-13,15-16H2,1-2H3,(H,22,23)/p+1/t20-/m0/s1