(Z)-but-2-enedioic acid; 2-[ethyl(2-piperidin-1-ylethyl)amino]-1-phenothiazin-10-yl-ethanone

Systemtic Name: (Z)-but-2-enedioic acid; 2-[ethyl(2-piperidin-1-ylethyl)amino]-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[ethyl-[2-(1-piperidyl)ethyl]amino]-1-phenothiazin-10-yl-ethanone; maleic acid CAS Name: (Z)-2-butenedioic acid; 2-[ethyl-[2-(1-piperidinyl)ethyl]amino]-1-(10-phenothiazinyl)ethanone IUPAC Name: (Z)-but-2-enedioic acid; 2-[ethyl(2-piperidin-1-ylethyl)amino]-1-phenothiazin-10-ylethanone Traditional Name: 2-[ethyl(2-piperidinoethyl)amino]-1-phenothiazin-10-yl-ethanone; maleic acid Formula: C31H37N3O9S MolecularWeight: 627.70518

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCN1CCCCC1)CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC(=O)N1C2=CC=CC=C2SC3=CC=CC=C13)CCN4CCCCC4.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C23H29N3OS.2C4H4O4/c1-2-24(16-17-25-14-8-3-9-15-25)18-23(27)26-19-10-4-6-12-21(19)28-22-13-7-5-11-20(22)26;2*5-3(6)1-2-4(7)8/h4-7,10-13H,2-3,8-9,14-18H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-