2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]acetamide Formula: C25H34N4O2+2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O2/c1-20(30)22-7-9-24(10-8-22)29-15-13-27(14-16-29)19-25(31)26-23-11-12-28(18-23)17-21-5-3-2-4-6-21/h2-10,23H,11-19H2,1H3,(H,26,31)/p+2/t23-/m0/s1