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

Systemtic Name: [(R)-(4-methylphenyl)-thiophen-2-yl-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)-p-tolyl(2-thienyl)methyl]ammonium CAS Name: [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[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)-p-tolyl(2-thienyl)methyl]ammonium Formula: C23H28N4OS+2 MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CS2)[NH2+]CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H26N4OS/c1-18-7-9-19(10-8-18)23(20-5-4-16-29-20)25-17-22(28)27-14-12-26(13-15-27)21-6-2-3-11-24-21/h2-11,16,23,25H,12-15,17H2,1H3/p+2/t23-/m1/s1