(3R)-4-(naphthalen-1-ylmethyl)-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-(naphthalen-1-ylmethyl)-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-(1-naphthylmethyl)-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-(1-naphthalenylmethyl)-3-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-(naphthalen-1-ylmethyl)-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-4-(1-naphthylmethyl)piperazin-4-ium-2-one Formula: C26H31N5O2+2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H29N5O2/c32-25(30-16-14-29(15-17-30)24-10-3-4-11-27-24)18-23-26(33)28-12-13-31(23)19-21-8-5-7-20-6-1-2-9-22(20)21/h1-11,23H,12-19H2,(H,28,33)/p+2/t23-/m1/s1