2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]-N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide

Systemtic Name: 2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]-N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-propyl]-2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide IUPAC Name: 2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide Traditional Name: N-[(1S)-1-benzyl-2-keto-propyl]-2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C27H32N3O2+ MolecularWeight: 430.56188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H31N3O2/c1-21(31)26(18-22-8-3-2-4-9-22)28-27(32)20-30-16-14-29(15-17-30)19-24-12-7-11-23-10-5-6-13-25(23)24/h2-13,26H,14-20H2,1H3,(H,28,32)/p+1/t26-/m0/s1