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

Systemtic Name: 1-[3-(2-methylphenothiazin-10-yl)propyl]-4-piperidin-1-yl-piperidine-4-carboxamide hydrate hydrochloride Openeye Name: 1-[3-(2-methylphenothiazin-10-yl)propyl]-4-(1-piperidyl)piperidine-4-carboxamide hydrate hydrochloride CAS Name: 1-[3-(2-methyl-10-phenothiazinyl)propyl]-4-(1-piperidinyl)-4-piperidinecarboxamide hydrate hydrochloride IUPAC Name: 1-[3-(2-methylphenothiazin-10-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide hydrate hydrochloride Traditional Name: 1-[3-(2-methylphenothiazin-10-yl)propyl]-4-piperidino-isonipecotamide hydrate hydrochloride Formula: C27H39ClN4O2S MolecularWeight: 519.14216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)(C(=O)N)N5CCCCC5.O.Cl

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)(C(=O)N)N5CCCCC5.O.Cl

InChI

InChI=1S/C27H36N4OS.ClH.H2O/c1-21-10-11-25-23(20-21)31(22-8-3-4-9-24(22)33-25)17-7-14-29-18-12-27(13-19-29,26(28)32)30-15-5-2-6-16-30;;/h3-4,8-11,20H,2,5-7,12-19H2,1H3,(H2,28,32);1H;1H2