phenothiazin-10-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: phenothiazin-10-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: phenothiazin-10-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: 10-phenothiazinyl-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: phenothiazin-10-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: phenothiazin-10-yl-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C22H21N4OS+ MolecularWeight: 389.49334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C22H20N4OS/c27-22(25-15-13-24(14-16-25)21-11-5-6-12-23-21)26-17-7-1-3-9-19(17)28-20-10-4-2-8-18(20)26/h1-12H,13-16H2/p+1