2-chloranyl-10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]phenothiazine; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 2-chloranyl-10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]phenothiazine; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 2-chloro-10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]phenothiazine; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 2-chloro-10-[3-(4,4-dimethyl-1-piperazin-4-iumyl)propyl]phenothiazine; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 2-chloro-10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]phenothiazine; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 2-chloro-10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]phenothiazine; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C25H30ClN3O4S MolecularWeight: 504.0414

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C[N+]1(CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C21H27ClN3S.C4H4O4/c1-25(2)14-12-23(13-15-25)10-5-11-24-18-6-3-4-7-20(18)26-21-9-8-17(22)16-19(21)24;5-3(6)1-2-4(7)8/h3-4,6-9,16H,5,10-15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/q+1;/p-1/b;2-1-