ethanol; 1-[3-(2-ethanoylphenothiazin-10-yl)propyl]-4-piperidin-1-yl-piperidine-4-carboxamide; hydrate; hydrochloride

Systemtic Name: ethanol; 1-[3-(2-ethanoylphenothiazin-10-yl)propyl]-4-piperidin-1-yl-piperidine-4-carboxamide; hydrate; hydrochloride Openeye Name: 1-[3-(2-acetylphenothiazin-10-yl)propyl]-4-(1-piperidyl)piperidine-4-carboxamide; ethanol; hydrate; hydrochloride CAS Name: 1-[3-(2-acetyl-10-phenothiazinyl)propyl]-4-(1-piperidinyl)-4-piperidinecarboxamide; ethanol; hydrate; hydrochloride IUPAC Name: 1-[3-(2-acetylphenothiazin-10-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide; ethanol; hydrate; hydrochloride Traditional Name: 1-[3-(2-acetylphenothiazin-10-yl)propyl]-4-piperidino-isonipecotamide; ethanol; hydrate; hydrochloride Formula: C30H45ClN4O4S MolecularWeight: 593.2207

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCO.CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)(C(=O)N)N5CCCCC5.O.Cl

Isomeric SMILES

CCO.CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)(C(=O)N)N5CCCCC5.O.Cl

InChI

InChI=1S/C28H36N4O2S.C2H6O.ClH.H2O/c1-21(33)22-10-11-26-24(20-22)32(23-8-3-4-9-25(23)35-26)17-7-14-30-18-12-28(13-19-30,27(29)34)31-15-5-2-6-16-31;1-2-3;;/h3-4,8-11,20H,2,5-7,12-19H2,1H3,(H2,29,34);3H,2H2,1H3;1H;1H2