8-ethyl-3,3-dimethyl-6-[4-(2-pyrrolidin-1-ium-1-ylethanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile

Systemtic Name: 8-ethyl-3,3-dimethyl-6-[4-(2-pyrrolidin-1-ium-1-ylethanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-ethyl-3,3-dimethyl-6-[4-(2-pyrrolidin-1-ium-1-ylacetyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 8-ethyl-3,3-dimethyl-6-[4-[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 8-ethyl-3,3-dimethyl-6-[4-(2-pyrrolidin-1-ium-1-ylacetyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-ethyl-3,3-dimethyl-6-[4-(2-pyrrolidin-1-ium-1-ylacetyl)piperazino]-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C23H35N5O2+2 MolecularWeight: 413.5563

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2COC(CC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C[NH+]4CCCC4)C#N)(C)C

Isomeric SMILES

CCC1=C2COC(CC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C[NH+]4CCCC4)C#N)(C)C

InChI

InChI=1S/C23H33N5O2/c1-4-20-19-16-30-23(2,3)13-17(19)18(14-24)22(25-20)28-11-9-27(10-12-28)21(29)15-26-7-5-6-8-26/h4-13,15-16H2,1-3H3/p+2