(2R)-N-[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]-2-phenoxy-butanamide

Systemtic Name: (2R)-N-[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]-2-phenoxy-butanamide Openeye Name: (2R)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-phenoxy-butanamide CAS Name: (2R)-N-[2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-2-phenoxybutanamide IUPAC Name: (2R)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-phenoxybutanamide Traditional Name: (2R)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-phenoxy-butyramide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C)OC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C(=O)NC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C)OC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c1-3-20(28-17-9-5-4-6-10-17)21(26)23-19-12-8-7-11-18(19)22(27)25-15-13-24(2)14-16-25/h4-12,20H,3,13-16H2,1-2H3,(H,23,26)/p+1/t20-/m1/s1