3,3,8-trimethyl-6-(4-prop-2-enylpiperazin-4-ium-1-yl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile

Systemtic Name: 3,3,8-trimethyl-6-(4-prop-2-enylpiperazin-4-ium-1-yl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-(4-allylpiperazin-4-ium-1-yl)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3,8-trimethyl-6-(4-prop-2-enyl-1-piperazin-4-iumyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3,8-trimethyl-6-(4-prop-2-enylpiperazin-4-ium-1-yl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(4-allylpiperazin-4-ium-1-yl)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C19H28N4O+2 MolecularWeight: 328.45182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2COC(CC2=C(C(=[NH+]1)N3CC[NH+](CC3)CC=C)C#N)(C)C

Isomeric SMILES

CC1=C2COC(CC2=C(C(=[NH+]1)N3CC[NH+](CC3)CC=C)C#N)(C)C

InChI

InChI=1S/C19H26N4O/c1-5-6-22-7-9-23(10-8-22)18-16(12-20)15-11-19(3,4)24-13-17(15)14(2)21-18/h5H,1,6-11,13H2,2-4H3/p+2