2-chloranyl-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: 2-chloranyl-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-chloro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-chloro-N-[2-[1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-chloro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-chloro-N-[2-(1-o-anisylpiperidin-1-ium-4-yl)pyrazol-3-yl]benzamide Formula: C23H26ClN4O2+ MolecularWeight: 425.93114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H25ClN4O2/c1-30-21-9-5-2-6-17(21)16-27-14-11-18(12-15-27)28-22(10-13-25-28)26-23(29)19-7-3-4-8-20(19)24/h2-10,13,18H,11-12,14-16H2,1H3,(H,26,29)/p+1