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

Systemtic Name: N-[2-[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: N-[2-[1-[[2-(cyclopentoxy)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: N-[2-[1-[(2-cyclopentyloxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: N-[2-[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: N-[2-[1-[2-(cyclopentoxy)benzyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C27H33N4O2+ MolecularWeight: 445.57652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=CC=C2C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)OC2=CC=CC=C2C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H32N4O2/c32-27(21-8-2-1-3-9-21)29-26-14-17-28-31(26)23-15-18-30(19-16-23)20-22-10-4-7-13-25(22)33-24-11-5-6-12-24/h1-4,7-10,13-14,17,23-24H,5-6,11-12,15-16,18-20H2,(H,29,32)/p+1