1-[10-[3-(dimethylamino)propyl]phenothiazine-5,10-diium-2-yl]butan-1-one chloride

Systemtic Name: 1-[10-[3-(dimethylamino)propyl]phenothiazine-5,10-diium-2-yl]butan-1-one chloride Openeye Name: 1-[10-[3-(dimethylamino)propyl]phenothiazine-5,10-diium-2-yl]butan-1-one chloride CAS Name: 1-[10-[3-(dimethylamino)propyl]-2-phenothiazine-5,10-diiumyl]-1-butanone chloride IUPAC Name: 1-[10-[3-(dimethylamino)propyl]phenothiazine-5,10-diium-2-yl]butan-1-one chloride Traditional Name: 1-[10-[3-(dimethylamino)propyl]phenothiazine-5,10-diium-2-yl]butan-1-one chloride Formula: C21H26ClN2OS+ MolecularWeight: 389.96194

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=[N+](C3=CC=CC=C3[S+]=C2C=C1)CCCN(C)C.[Cl-]

Isomeric SMILES

CCCC(=O)C1=CC2=[N+](C3=CC=CC=C3[S+]=C2C=C1)CCCN(C)C.[Cl-]

InChI

InChI=1S/C21H26N2OS.ClH/c1-4-8-19(24)16-11-12-21-18(15-16)23(14-7-13-22(2)3)17-9-5-6-10-20(17)25-21;/h5-6,9-12,15H,4,7-8,13-14H2,1-3H3;1H/q+2;/p-1