N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-4-pyrazol-1-yl-benzamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C23H26N4O2/c1-18-3-5-19(6-4-18)22(17-26-13-15-29-16-14-26)25-23(28)20-7-9-21(10-8-20)27-12-2-11-24-27/h2-12,22H,13-17H2,1H3,(H,25,28)/p+1/t22-/m0/s1