2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carbonitrile Formula: C17H26N4O2+2 MolecularWeight: 318.41394

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)C=C(C(=[NH+]2)N3CC[NH+](CC3)CCO)C#N)C

Isomeric SMILES

CC1(CC2=C(CO1)C=C(C(=[NH+]2)N3CC[NH+](CC3)CCO)C#N)C

InChI

InChI=1S/C17H24N4O2/c1-17(2)10-15-14(12-23-17)9-13(11-18)16(19-15)21-5-3-20(4-6-21)7-8-22/h9,22H,3-8,10,12H2,1-2H3/p+2