N-(2-methoxy-5-methyl-phenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide CAS Name: N-(2-methoxy-5-methylphenyl)-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]benzamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Formula: C26H30N3O2+ MolecularWeight: 416.5353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2/c1-20-8-13-25(31-2)24(18-20)27-26(30)22-11-9-21(10-12-22)19-28-14-16-29(17-15-28)23-6-4-3-5-7-23/h3-13,18H,14-17,19H2,1-2H3,(H,27,30)/p+1