N-[2-[1-[(3-ethanoylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide

Systemtic Name: N-[2-[1-[(3-ethanoylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide Openeye Name: N-[2-[1-[(3-acetylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide CAS Name: N-[2-[1-[(3-acetylphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-phenoxypropanamide IUPAC Name: N-[2-[1-[(3-acetylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxypropanamide Traditional Name: N-[2-[1-(3-acetylbenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propionamide Formula: C26H31N4O3+ MolecularWeight: 447.54934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCOC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCOC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3/c1-20(31)22-7-5-6-21(18-22)19-29-15-11-23(12-16-29)30-25(10-14-27-30)28-26(32)13-17-33-24-8-3-2-4-9-24/h2-10,14,18,23H,11-13,15-17,19H2,1H3,(H,28,32)/p+1