3-phenyl-N-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide

Systemtic Name: 3-phenyl-N-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide Openeye Name: N-[2-[1-[(4-isopropoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide CAS Name: 3-phenyl-N-[2-[1-[(4-propan-2-yloxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]propanamide IUPAC Name: 3-phenyl-N-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide Traditional Name: N-[2-[1-(4-isopropoxybenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propionamide Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2/c1-21(2)33-25-11-8-23(9-12-25)20-30-18-15-24(16-19-30)31-26(14-17-28-31)29-27(32)13-10-22-6-4-3-5-7-22/h3-9,11-12,14,17,21,24H,10,13,15-16,18-20H2,1-2H3,(H,29,32)/p+1