1-(2-methoxyphenyl)-4-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]piperazine CAS Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(1H-pyrazol-5-ylmethyl)-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]piperazine Formula: C20H30N5O+ MolecularWeight: 356.4851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CCC[NH+](C3)CC4=CC=NN4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)[C@H]3CCC[NH+](C3)CC4=CC=NN4

InChI

InChI=1S/C20H29N5O/c1-26-20-7-3-2-6-19(20)25-13-11-24(12-14-25)18-5-4-10-23(16-18)15-17-8-9-21-22-17/h2-3,6-9,18H,4-5,10-16H2,1H3,(H,21,22)/p+1/t18-/m0/s1