N-(2-methoxy-5-methyl-phenyl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: 3-(4-benzylpiperazin-1-ium-1-yl)-N-(2-methoxy-5-methyl-phenyl)propanamide CAS Name: N-(2-methoxy-5-methylphenyl)-3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-(4-benzylpiperazin-1-ium-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide Traditional Name: 3-(4-benzylpiperazin-1-ium-1-yl)-N-(2-methoxy-5-methyl-phenyl)propionamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CC[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CC[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O2/c1-18-8-9-21(27-2)20(16-18)23-22(26)10-11-24-12-14-25(15-13-24)17-19-6-4-3-5-7-19/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)/p+1