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

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenoxy-butanamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenoxy-butanamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-phenoxybutanamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenoxybutanamide Traditional Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenoxy-butyramide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CCCOC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CCCOC3=CC=CC=C3

InChI

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