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

Systemtic Name: 4-ethoxy-N-[(2R)-3-methyl-1-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 4-ethoxy-N-[(1R)-2-methyl-1-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-carbonyl]propyl]benzamide CAS Name: 4-ethoxy-N-[(2R)-3-methyl-1-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-1-oxobutan-2-yl]benzamide IUPAC Name: 4-ethoxy-N-[(2R)-3-methyl-1-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-1-oxobutan-2-yl]benzamide Traditional Name: 4-ethoxy-N-[(1R)-2-methyl-1-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-carbonyl]propyl]benzamide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)N2CC[NH+](CC2C3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@H](C(C)C)C(=O)N2CC[NH+](C[C@@H]2C3=CC=CC=C3)C

InChI

InChI=1S/C25H33N3O3/c1-5-31-21-13-11-20(12-14-21)24(29)26-23(18(2)3)25(30)28-16-15-27(4)17-22(28)19-9-7-6-8-10-19/h6-14,18,22-23H,5,15-17H2,1-4H3,(H,26,29)/p+1/t22-,23-/m1/s1