methyl N'-(10-methylacridin-10-ium-9-yl)-N,N-bis(2-methylpropyl)carbamimidothioate iodide

Systemtic Name: methyl N'-(10-methylacridin-10-ium-9-yl)-N,N-bis(2-methylpropyl)carbamimidothioate iodide Openeye Name: 1,1-diisobutyl-2-methyl-3-(10-methylacridin-10-ium-9-yl)isothiourea iodide CAS Name: N'-(10-methyl-9-acridin-10-iumyl)-N,N-bis(2-methylpropyl)carbamimidothioic acid methyl ester iodide IUPAC Name: methyl N'-(10-methylacridin-10-ium-9-yl)-N,N-bis(2-methylpropyl)carbamimidothioate iodide Traditional Name: 1,1-diisobutyl-2-methyl-3-(10-methylacridin-10-ium-9-yl)isothiourea iodide Formula: C24H32IN3S MolecularWeight: 521.50045

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=NC1=C2C=CC=CC2=[N+](C3=CC=CC=C31)C)SC.[I-]

Isomeric SMILES

CC(C)CN(CC(C)C)C(=NC1=C2C=CC=CC2=[N+](C3=CC=CC=C31)C)SC.[I-]

InChI

InChI=1S/C24H32N3S.HI/c1-17(2)15-27(16-18(3)4)24(28-6)25-23-19-11-7-9-13-21(19)26(5)22-14-10-8-12-20(22)23;/h7-14,17-18H,15-16H2,1-6H3;1H/q+1;/p-1