methyl N-cyclohexyl-N-ethyl-N'-(10-methylacridin-10-ium-9-yl)carbamimidothioate iodide

Systemtic Name: methyl N-cyclohexyl-N-ethyl-N'-(10-methylacridin-10-ium-9-yl)carbamimidothioate iodide Openeye Name: 1-cyclohexyl-1-ethyl-2-methyl-3-(10-methylacridin-10-ium-9-yl)isothiourea iodide CAS Name: N-cyclohexyl-N-ethyl-N'-(10-methyl-9-acridin-10-iumyl)carbamimidothioic acid methyl ester iodide IUPAC Name: methyl N-cyclohexyl-N-ethyl-N'-(10-methylacridin-10-ium-9-yl)carbamimidothioate iodide Traditional Name: 1-cyclohexyl-1-ethyl-2-methyl-3-(10-methylacridin-10-ium-9-yl)isothiourea iodide Formula: C24H30IN3S MolecularWeight: 519.48457

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=NC2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C)SC.[I-]

Isomeric SMILES

CCN(C1CCCCC1)C(=NC2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C)SC.[I-]

InChI

InChI=1S/C24H30N3S.HI/c1-4-27(18-12-6-5-7-13-18)24(28-3)25-23-19-14-8-10-16-21(19)26(2)22-17-11-9-15-20(22)23;/h8-11,14-18H,4-7,12-13H2,1-3H3;1H/q+1;/p-1