2-methyl-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]benzamide

Systemtic Name: 2-methyl-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]benzamide Openeye Name: 2-methyl-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]benzamide CAS Name: 2-methyl-N-[3-[(2S)-4-methyl-2-phenyl-1-piperazine-1,4-diiumyl]propyl]benzamide IUPAC Name: 2-methyl-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1,4-diium-1-yl]propyl]benzamide Traditional Name: 2-methyl-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]benzamide Formula: C22H31N3O+2 MolecularWeight: 353.50104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC[NH+]2CC[NH+](CC2C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC[NH+]2CC[NH+](C[C@@H]2C3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3O/c1-18-9-6-7-12-20(18)22(26)23-13-8-14-25-16-15-24(2)17-21(25)19-10-4-3-5-11-19/h3-7,9-12,21H,8,13-17H2,1-2H3,(H,23,26)/p+2/t21-/m1/s1