[4-(dimethylamino)-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl]-(phenylmethyl)azanium

Systemtic Name: [4-(dimethylamino)-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[4-(dimethylamino)-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl]ammonium CAS Name: [4-(dimethylamino)-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[4-(dimethylamino)-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl]azanium Traditional Name: benzyl-[4-(dimethylamino)-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl]ammonium Formula: C21H26N5S+ MolecularWeight: 380.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C2C(=NC3=C(N=CN=C3S2)N(C)C)C1)[NH2+]CC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(=C2C(=NC3=C(N=CN=C3S2)N(C)C)C1)[NH2+]CC4=CC=CC=C4)C

InChI

InChI=1S/C21H25N5S/c1-21(2)10-15(22-12-14-8-6-5-7-9-14)18-16(11-21)25-17-19(26(3)4)23-13-24-20(17)27-18/h5-9,13,22H,10-12H2,1-4H3/p+1