[4-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)piperazin-1-yl]-phenyl-methanone hydrochloride

Systemtic Name: [4-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)piperazin-1-yl]-phenyl-methanone hydrochloride Openeye Name: [4-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)piperazin-1-yl]-phenyl-methanone hydrochloride CAS Name: [4-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-1-piperazinyl]-phenylmethanone hydrochloride IUPAC Name: [4-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)piperazin-1-yl]-phenylmethanone hydrochloride Traditional Name: [4-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)piperazino]-phenyl-methanone hydrochloride Formula: C22H25ClN4O MolecularWeight: 396.9131

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C3=C(C1)C=CC=C3NC(=N2)N4CCN(CC4)C(=O)C5=CC=CC=C5.Cl

Isomeric SMILES

C1CC2C3=C(C1)C=CC=C3NC(=N2)N4CCN(CC4)C(=O)C5=CC=CC=C5.Cl

InChI

InChI=1S/C22H24N4O.ClH/c27-21(17-6-2-1-3-7-17)25-12-14-26(15-13-25)22-23-18-10-4-8-16-9-5-11-19(24-22)20(16)18;/h1-4,6-8,10,19H,5,9,11-15H2,(H,23,24);1H