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

Systemtic Name: (3R)-4-[(2-methoxyphenyl)methyl]-3-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-[(2-methoxyphenyl)methyl]-3-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-[(2-methoxyphenyl)methyl]-3-[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(2-methoxyphenyl)methyl]-3-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]-4-o-anisyl-piperazin-4-ium-2-one Formula: C23H31N5O3+2 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C23H29N5O3/c1-31-21-5-3-2-4-18(21)17-28-11-10-25-23(30)20(28)16-22(29)27-14-12-26(13-15-27)19-6-8-24-9-7-19/h2-9,20H,10-17H2,1H3,(H,25,30)/p+2/t20-/m1/s1