4-(5-methylpyrazol-1-yl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzamide

Systemtic Name: 4-(5-methylpyrazol-1-yl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzamide Openeye Name: 4-(5-methylpyrazol-1-yl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzamide CAS Name: 4-(5-methyl-1-pyrazolyl)-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]benzamide IUPAC Name: 4-(5-methylpyrazol-1-yl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide Traditional Name: 4-(5-methylpyrazol-1-yl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NC(C[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)N[C@H](C[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-18-11-12-24-27(18)21-9-7-20(8-10-21)23(28)25-22(19-5-3-2-4-6-19)17-26-13-15-29-16-14-26/h2-12,22H,13-17H2,1H3,(H,25,28)/p+1/t22-/m1/s1