10-[3-[4-(1-hydroxyethyl)piperazin-1-yl]propyl]phenothiazine-2-carbonitrile; methanesulfonic acid

Systemtic Name: 10-[3-[4-(1-hydroxyethyl)piperazin-1-yl]propyl]phenothiazine-2-carbonitrile; methanesulfonic acid Openeye Name: 10-[3-[4-(1-hydroxyethyl)piperazin-1-yl]propyl]phenothiazine-2-carbonitrile; methanesulfonic acid CAS Name: 10-[3-[4-(1-hydroxyethyl)-1-piperazinyl]propyl]-2-phenothiazinecarbonitrile; methanesulfonic acid IUPAC Name: 10-[3-[4-(1-hydroxyethyl)piperazin-1-yl]propyl]phenothiazine-2-carbonitrile; methanesulfonic acid Traditional Name: 10-[3-[4-(1-hydroxyethyl)piperazino]propyl]phenothiazine-2-carbonitrile; mesylic acid Formula: C24H34N4O7S3 MolecularWeight: 586.74436

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C#N)O.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC(N1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C#N)O.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C22H26N4OS.2CH4O3S/c1-17(27)25-13-11-24(12-14-25)9-4-10-26-19-5-2-3-6-21(19)28-22-8-7-18(16-23)15-20(22)26;2*1-5(2,3)4/h2-3,5-8,15,17,27H,4,9-14H2,1H3;2*1H3,(H,2,3,4)