3-phenoxy-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide

Systemtic Name: 3-phenoxy-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide Openeye Name: 3-phenoxy-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide CAS Name: 3-phenoxy-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]propanamide IUPAC Name: 3-phenoxy-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide Traditional Name: 3-phenoxy-N-[2-[1-(2,4,5-trimethylbenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propionamide Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCOC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1C)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCOC4=CC=CC=C4)C

InChI

InChI=1S/C27H34N4O2/c1-20-17-22(3)23(18-21(20)2)19-30-14-10-24(11-15-30)31-26(9-13-28-31)29-27(32)12-16-33-25-7-5-4-6-8-25/h4-9,13,17-18,24H,10-12,14-16,19H2,1-3H3,(H,29,32)/p+1