N-[(1R)-1-cyclopropylethyl]-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: N-[(1R)-1-cyclopropylethyl]-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-benzyl-N-[(1R)-1-cyclopropylethyl]acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-[(1R)-1-cyclopropylethyl]-N-(phenylmethyl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-benzyl-N-[(1R)-1-cyclopropylethyl]acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-benzyl-N-[(1R)-1-cyclopropylethyl]acetamide Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

C[C@H](C1CC1)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C26H33N3O2/c1-20(23-8-9-23)29(18-22-6-4-3-5-7-22)26(31)19-27-14-16-28(17-15-27)25-12-10-24(11-13-25)21(2)30/h3-7,10-13,20,23H,8-9,14-19H2,1-2H3/p+1/t20-/m1/s1