dimethyl-[7-[methyl-[4-(2-methylpropoxy)-4-oxidanylidene-butyl]amino]phenothiazin-3-ylidene]azanium

Systemtic Name: dimethyl-[7-[methyl-[4-(2-methylpropoxy)-4-oxidanylidene-butyl]amino]phenothiazin-3-ylidene]azanium Openeye Name: [7-[(4-isobutoxy-4-oxo-butyl)-methyl-amino]phenothiazin-3-ylidene]-dimethyl-ammonium CAS Name: dimethyl-[7-[methyl-[4-(2-methylpropoxy)-4-oxobutyl]amino]-3-phenothiazinylidene]ammonium IUPAC Name: dimethyl-[7-[methyl-[4-(2-methylpropoxy)-4-oxobutyl]amino]phenothiazin-3-ylidene]azanium Traditional Name: [7-[(4-isobutoxy-4-keto-butyl)-methyl-amino]phenothiazin-3-ylidene]-dimethyl-ammonium Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CCCN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2

Isomeric SMILES

CC(C)COC(=O)CCCN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2

InChI

InChI=1S/C23H30N3O2S/c1-16(2)15-28-23(27)7-6-12-26(5)18-9-11-20-22(14-18)29-21-13-17(25(3)4)8-10-19(21)24-20/h8-11,13-14,16H,6-7,12,15H2,1-5H3/q+1