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

Systemtic Name: 2-ethoxy-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]benzamide Openeye Name: 2-ethoxy-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]benzamide CAS Name: 2-ethoxy-N-[3-[(2S)-4-methyl-2-phenyl-1-piperazine-1,4-diiumyl]propyl]benzamide IUPAC Name: 2-ethoxy-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1,4-diium-1-yl]propyl]benzamide Traditional Name: 2-ethoxy-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]benzamide Formula: C23H33N3O2+2 MolecularWeight: 383.52702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NCCC[NH+]2CC[NH+](CC2C3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NCCC[NH+]2CC[NH+](C[C@@H]2C3=CC=CC=C3)C

InChI

InChI=1S/C23H31N3O2/c1-3-28-22-13-8-7-12-20(22)23(27)24-14-9-15-26-17-16-25(2)18-21(26)19-10-5-4-6-11-19/h4-8,10-13,21H,3,9,14-18H2,1-2H3,(H,24,27)/p+2/t21-/m1/s1