3-methyl-N-[3-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 3-methyl-N-[3-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: 3-methyl-N-[3-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-3-oxo-propyl]benzamide CAS Name: 3-methyl-N-[3-[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-3-oxopropyl]benzamide IUPAC Name: 3-methyl-N-[3-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-3-oxopropyl]benzamide Traditional Name: N-[3-keto-3-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]propyl]-3-methyl-benzamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCCC(=O)N2CC[NH+](CC2C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCCC(=O)N2CC[NH+](C[C@H]2C3=CC=CC=C3)C

InChI

InChI=1S/C22H27N3O2/c1-17-7-6-10-19(15-17)22(27)23-12-11-21(26)25-14-13-24(2)16-20(25)18-8-4-3-5-9-18/h3-10,15,20H,11-14,16H2,1-2H3,(H,23,27)/p+1/t20-/m0/s1