methyl N'-(10-methylacridin-10-ium-9-yl)-N,N-di(propan-2-yl)carbamimidothioate iodide

Systemtic Name: methyl N'-(10-methylacridin-10-ium-9-yl)-N,N-di(propan-2-yl)carbamimidothioate iodide Openeye Name: 1,1-diisopropyl-2-methyl-3-(10-methylacridin-10-ium-9-yl)isothiourea iodide CAS Name: N'-(10-methyl-9-acridin-10-iumyl)-N,N-di(propan-2-yl)carbamimidothioic acid methyl ester iodide IUPAC Name: methyl N'-(10-methylacridin-10-ium-9-yl)-N,N-di(propan-2-yl)carbamimidothioate iodide Traditional Name: 1,1-diisopropyl-2-methyl-3-(10-methylacridin-10-ium-9-yl)isothiourea iodide Formula: C22H28IN3S MolecularWeight: 493.44729

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N3S.HI/c1-15(2)25(16(3)4)22(26-6)23-21-17-11-7-9-13-19(17)24(5)20-14-10-8-12-18(20)21;/h7-16H,1-6H3;1H/q+1;/p-1