(3-methoxyphenyl)-[(3S)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-methoxyphenyl)-[(3S)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3-methoxyphenyl)-[(3S)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3-methoxyphenyl)-[(3S)-1-[[3-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-methoxyphenyl)-[(3S)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3-methoxyphenyl)-[(3S)-1-(3-pyrazol-1-ylbenzyl)piperidin-1-ium-3-yl]methanone Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)CC3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C23H25N3O2/c1-28-22-10-3-7-19(15-22)23(27)20-8-4-12-25(17-20)16-18-6-2-9-21(14-18)26-13-5-11-24-26/h2-3,5-7,9-11,13-15,20H,4,8,12,16-17H2,1H3/p+1/t20-/m0/s1