N-(1-ethylpiperidin-1-ium-4-yl)-4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-methyl-4-oxidanylidene-butanamide

Systemtic Name: N-(1-ethylpiperidin-1-ium-4-yl)-4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-methyl-4-oxidanylidene-butanamide Openeye Name: N-(1-ethylpiperidin-1-ium-4-yl)-4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-methyl-4-oxo-butanamide CAS Name: N-(1-ethyl-4-piperidin-1-iumyl)-4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-methyl-4-oxobutanamide IUPAC Name: N-(1-ethylpiperidin-1-ium-4-yl)-4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-methyl-4-oxobutanamide Traditional Name: N-(1-ethylpiperidin-1-ium-4-yl)-4-keto-4-[(5S)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]-N-methyl-butyramide Formula: C28H37N4O3+ MolecularWeight: 477.61838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)N(C)C(=O)CCC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC[NH+]1CCC(CC1)N(C)C(=O)CCC(=O)N2[C@@H](CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H36N4O3/c1-4-31-18-16-23(17-19-31)30(2)27(33)14-15-28(34)32-26(22-10-12-24(35-3)13-11-22)20-25(29-32)21-8-6-5-7-9-21/h5-13,23,26H,4,14-20H2,1-3H3/p+1/t26-/m0/s1