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

Systemtic Name: (2-methoxyphenyl)methyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: (2-methoxyphenyl)methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-(2-thienylmethyl)ammonium CAS Name: (2-methoxyphenyl)methyl-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: (2-methoxyphenyl)methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-o-anisyl-(2-thenyl)ammonium Formula: C24H30N4O2S+2 MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+](CC2=CC=CS2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=CC=C1C[NH+](CC2=CC=CS2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H28N4O2S/c1-30-22-9-3-2-7-20(22)17-26(18-21-8-6-16-31-21)19-24(29)28-14-12-27(13-15-28)23-10-4-5-11-25-23/h2-11,16H,12-15,17-19H2,1H3/p+2