3-naphthalen-1-yl-2-[2-[1-(phenylmethyl)piperazin-1-ium-1-yl]ethanoylamino]propanoic acid

Systemtic Name: 3-naphthalen-1-yl-2-[2-[1-(phenylmethyl)piperazin-1-ium-1-yl]ethanoylamino]propanoic acid Openeye Name: 2-[[2-(1-benzylpiperazin-1-ium-1-yl)acetyl]amino]-3-(1-naphthyl)propanoic acid CAS Name: 3-(1-naphthalenyl)-2-[[1-oxo-2-[1-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]amino]propanoic acid IUPAC Name: 2-[[2-(1-benzylpiperazin-1-ium-1-yl)acetyl]amino]-3-naphthalen-1-ylpropanoic acid Traditional Name: 2-[[2-(1-benzylpiperazin-1-ium-1-yl)acetyl]amino]-3-(1-naphthyl)propionic acid Formula: C26H30N3O3+ MolecularWeight: 432.5347

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CC2=CC=CC=C2)CC(=O)NC(CC3=CC=CC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1C[N+](CCN1)(CC2=CC=CC=C2)CC(=O)NC(CC3=CC=CC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C26H29N3O3/c30-25(19-29(15-13-27-14-16-29)18-20-7-2-1-3-8-20)28-24(26(31)32)17-22-11-6-10-21-9-4-5-12-23(21)22/h1-12,24,27H,13-19H2,(H-,28,30,31,32)/p+1