lithium; 2-chloranyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; hydrogen carbonate

Systemtic Name: lithium; 2-chloranyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; hydrogen carbonate Openeye Name: lithium; 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; hydrogen carbonate CAS Name: lithium; 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine; hydrogen carbonate IUPAC Name: lithium; 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; hydrogen carbonate Traditional Name: lithium 2-chloro-10-[3-(4-methylpiperazino)propyl]phenothiazine bicarbonate Formula: C21H25ClLiN3O3S MolecularWeight: 441.9005

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=O)(O)[O-]

Isomeric SMILES

[Li+].CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=O)(O)[O-]

InChI

InChI=1S/C20H24ClN3S.CH2O3.Li/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;2-1(3)4;/h2-3,5-8,15H,4,9-14H2,1H3;(H2,2,3,4);/q;;+1/p-1