2,2-dimethyl-4-(4-methylpiperidin-1-yl)-6-nitro-3,4-dihydrochromen-3-ol hydrochloride

Systemtic Name: 2,2-dimethyl-4-(4-methylpiperidin-1-yl)-6-nitro-3,4-dihydrochromen-3-ol hydrochloride Openeye Name: 2,2-dimethyl-4-(4-methyl-1-piperidyl)-6-nitro-chroman-3-ol hydrochloride CAS Name: 2,2-dimethyl-4-(4-methyl-1-piperidinyl)-6-nitro-3,4-dihydro-2H-1-benzopyran-3-ol hydrochloride IUPAC Name: 2,2-dimethyl-4-(4-methylpiperidin-1-yl)-6-nitro-3,4-dihydrochromen-3-ol hydrochloride Traditional Name: 2,2-dimethyl-4-(4-methylpiperidino)-6-nitro-chroman-3-ol hydrochloride Formula: C17H25ClN2O4 MolecularWeight: 356.8444

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2C(C(OC3=C2C=C(C=C3)[N+](=O)[O-])(C)C)O.Cl

Isomeric SMILES

CC1CCN(CC1)C2C(C(OC3=C2C=C(C=C3)[N+](=O)[O-])(C)C)O.Cl

InChI

InChI=1S/C17H24N2O4.ClH/c1-11-6-8-18(9-7-11)15-13-10-12(19(21)22)4-5-14(13)23-17(2,3)16(15)20;/h4-5,10-11,15-16,20H,6-9H2,1-3H3;1H