1-[3-(2-chloranylphenothiazin-10-yl)propyl]-4-piperidin-1-yl-piperidine-4-carboxamide; methanol; hydrochloride

Systemtic Name: 1-[3-(2-chloranylphenothiazin-10-yl)propyl]-4-piperidin-1-yl-piperidine-4-carboxamide; methanol; hydrochloride Openeye Name: 1-[3-(2-chlorophenothiazin-10-yl)propyl]-4-(1-piperidyl)piperidine-4-carboxamide; methanol; hydrochloride CAS Name: 1-[3-(2-chloro-10-phenothiazinyl)propyl]-4-(1-piperidinyl)-4-piperidinecarboxamide; methanol; hydrochloride IUPAC Name: 1-[3-(2-chlorophenothiazin-10-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide; methanol; hydrochloride Traditional Name: 1-[3-(2-chlorophenothiazin-10-yl)propyl]-4-piperidino-isonipecotamide; methanol; hydrochloride Formula: C27H38Cl2N4O2S MolecularWeight: 553.58722

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Descriptors Computed from Structure

Canonical SMILES:

CO.C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)C(=O)N.Cl

Isomeric SMILES

CO.C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)C(=O)N.Cl

InChI

InChI=1S/C26H33ClN4OS.CH4O.ClH/c27-20-9-10-24-22(19-20)31(21-7-2-3-8-23(21)33-24)16-6-13-29-17-11-26(12-18-29,25(28)32)30-14-4-1-5-15-30;1-2;/h2-3,7-10,19H,1,4-6,11-18H2,(H2,28,32);2H,1H3;1H