10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; propanedioic acid

Systemtic Name: 10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; propanedioic acid Openeye Name: malonic acid; 10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine CAS Name: 10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine; propanedioic acid IUPAC Name: 10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; propanedioic acid Traditional Name: malonic acid; 10-[3-(4-methylpiperazino)propyl]phenothiazine Formula: C23H29N3O4S MolecularWeight: 443.55906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42.C(C(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42.C(C(=O)O)C(=O)O

InChI

InChI=1S/C20H25N3S.C3H4O4/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23;4-2(5)1-3(6)7/h2-5,7-10H,6,11-16H2,1H3;1H2,(H,4,5)(H,6,7)