N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenoxy-benzamide

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenoxy-benzamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenoxy-benzamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-phenoxybenzamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenoxybenzamide Traditional Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenoxy-benzamide Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O2/c1-19-17-21(28-15-13-27(2)14-16-28)11-12-24(19)26-25(29)20-7-6-10-23(18-20)30-22-8-4-3-5-9-22/h3-12,17-18H,13-16H2,1-2H3,(H,26,29)/p+1