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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C#N)CCO

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C#N)CCO

InChI

InChI=1S/C22H26N4OS.2CH4O3S/c23-17-18-6-7-22-20(16-18)26(19-4-1-2-5-21(19)28-22)9-3-8-24-10-12-25(13-11-24)14-15-27;2*1-5(2,3)4/h1-2,4-7,16,27H,3,8-15H2;2*1H3,(H,2,3,4)