1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-pyrazol-1-yl-ethanone

Systemtic Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-pyrazol-1-yl-ethanone Openeye Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-2-pyrazol-1-yl-ethanone CAS Name: 1-[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-2-(1-pyrazolyl)ethanone IUPAC Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone Traditional Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-2-pyrazol-1-yl-ethanone Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)CN4C=CC=N4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)CN4C=CC=N4

InChI

InChI=1S/C21H29N5O2/c1-28-20-8-3-2-7-19(20)24-14-12-23(13-15-24)18-6-4-10-25(16-18)21(27)17-26-11-5-9-22-26/h2-3,5,7-9,11,18H,4,6,10,12-17H2,1H3/p+1/t18-/m0/s1