N-[(2S)-3-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]-2-naphthalen-1-yl-ethanamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]-2-naphthalen-1-yl-ethanamide Openeye Name: N-[(1S)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)propyl]-2-(1-naphthyl)acetamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butan-2-yl]-2-(1-naphthalenyl)acetamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]-2-naphthalen-1-ylacetamide Traditional Name: N-[(1S)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)propyl]-2-(1-naphthyl)acetamide Formula: C26H31N4O2+ MolecularWeight: 431.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)NC(=O)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)NC(=O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H30N4O2/c1-19(2)25(26(32)30-16-14-29(15-17-30)23-12-5-6-13-27-23)28-24(31)18-21-10-7-9-20-8-3-4-11-22(20)21/h3-13,19,25H,14-18H2,1-2H3,(H,28,31)/p+1/t25-/m0/s1