[(R)-(4-methylphenyl)-phenyl-methyl]-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: [(R)-(4-methylphenyl)-phenyl-methyl]-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-[(R)-phenyl(p-tolyl)methyl]ammonium CAS Name: [(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-[(R)-phenyl(p-tolyl)methyl]ammonium Formula: C25H30N4O+2 MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)[NH2+]CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C2=CC=CC=C2)[NH2+]CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C25H28N4O/c1-20-10-12-22(13-11-20)25(21-7-3-2-4-8-21)27-19-24(30)29-17-15-28(16-18-29)23-9-5-6-14-26-23/h2-14,25,27H,15-19H2,1H3/p+2/t25-/m1/s1