3-piperazin-1-ium-1-ylidene-7-piperazin-1-yl-phenothiazine bromide dihydrobromide

Systemtic Name: 3-piperazin-1-ium-1-ylidene-7-piperazin-1-yl-phenothiazine bromide dihydrobromide Openeye Name: 3-piperazin-1-ium-1-ylidene-7-piperazin-1-yl-phenothiazine bromide dihydrobromide CAS Name: 3-(1-piperazin-1-iumylidene)-7-(1-piperazinyl)phenothiazine bromide dihydrobromide IUPAC Name: 3-piperazin-1-ium-1-ylidene-7-piperazin-1-ylphenothiazine bromide dihydrobromide Traditional Name: 3-piperazin-1-ium-1-ylidene-7-piperazino-phenothiazine bromide dihydrobromide Formula: C20H26Br3N5S MolecularWeight: 608.23094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC3=C(C=C2)N=C4C=CC(=[N+]5CCNCC5)C=C4S3.Br.Br.[Br-]

Isomeric SMILES

C1CN(CCN1)C2=CC3=C(C=C2)N=C4C=CC(=[N+]5CCNCC5)C=C4S3.Br.Br.[Br-]

InChI

InChI=1S/C20H24N5S.3BrH/c1-3-17-19(13-15(1)24-9-5-21-6-10-24)26-20-14-16(2-4-18(20)23-17)25-11-7-22-8-12-25;;;/h1-4,13-14,21-22H,5-12H2;3*1H/q+1;;;/p-1