(2R)-N-(3-ethanoylphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: (2R)-N-(3-ethanoylphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-N-(3-acetylphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propanamide CAS Name: (2R)-N-(3-acetylphenyl)-2-[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-N-(3-acetylphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propanamide Traditional Name: (2R)-N-(3-acetylphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propionamide Formula: C23H31N3O3+2 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C(=O)C)[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-18(23(28)24-21-8-6-7-20(17-21)19(2)27)26-13-11-25(12-14-26)15-16-29-22-9-4-3-5-10-22/h3-10,17-18H,11-16H2,1-2H3,(H,24,28)/p+2/t18-/m1/s1