2-chloranyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; ethane-1,1-disulfonic acid

Systemtic Name: 2-chloranyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; ethane-1,1-disulfonic acid Openeye Name: 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; ethane-1,1-disulfonic acid CAS Name: 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine; ethane-1,1-disulfonic acid IUPAC Name: 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; ethane-1,1-disulfonic acid Traditional Name: 2-chloro-10-[3-(4-methylpiperazino)propyl]phenothiazine; ethane-1,1-disulfonic acid Formula: C22H30ClN3O6S3 MolecularWeight: 564.1381

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Descriptors Computed from Structure

Canonical SMILES:

CC(S(=O)(=O)O)S(=O)(=O)O.CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

CC(S(=O)(=O)O)S(=O)(=O)O.CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C20H24ClN3S.C2H6O6S2/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;1-2(9(3,4)5)10(6,7)8/h2-3,5-8,15H,4,9-14H2,1H3;2H,1H3,(H,3,4,5)(H,6,7,8)