(5S)-1-(naphthalen-2-ylmethyl)-5-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]azepan-2-one

Systemtic Name: (5S)-1-(naphthalen-2-ylmethyl)-5-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]azepan-2-one Openeye Name: (5S)-1-(2-naphthylmethyl)-5-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]azepan-2-one CAS Name: (5S)-1-(2-naphthalenylmethyl)-5-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]-2-azepanone IUPAC Name: (5S)-1-(naphthalen-2-ylmethyl)-5-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]azepan-2-one Traditional Name: (5S)-1-(2-naphthylmethyl)-5-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]azepan-2-one Formula: C27H33N4O+ MolecularWeight: 429.57712

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1[NH+]2CCN(CC2)CC3=CC=CC=N3)CC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC(=O)N(CC[C@H]1[NH+]2CCN(CC2)CC3=CC=CC=N3)CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H32N4O/c32-27-11-10-26(30-17-15-29(16-18-30)21-25-7-3-4-13-28-25)12-14-31(27)20-22-8-9-23-5-1-2-6-24(23)19-22/h1-9,13,19,26H,10-12,14-18,20-21H2/p+1/t26-/m0/s1