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

Systemtic Name: N-[2-[1-[(3,4-dimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide Openeye Name: N-[2-[1-[(3,4-dimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide CAS Name: N-[2-[1-[(3,4-dimethylphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-phenoxypropanamide IUPAC Name: N-[2-[1-[(3,4-dimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxypropanamide Traditional Name: N-[2-[1-(3,4-dimethylbenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propionamide Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCOC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCOC4=CC=CC=C4)C

InChI

InChI=1S/C26H32N4O2/c1-20-8-9-22(18-21(20)2)19-29-15-11-23(12-16-29)30-25(10-14-27-30)28-26(31)13-17-32-24-6-4-3-5-7-24/h3-10,14,18,23H,11-13,15-17,19H2,1-2H3,(H,28,31)/p+1