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

Systemtic Name: 3,3-dimethyl-6-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethanoyl)piperazin-1-yl]-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 3,3-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-yl-acetyl)piperazin-1-yl]-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 6-[4-[1,2-dioxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-[4-(2-keto-2-pyrrolidino-acetyl)piperazino]-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C27H32N5O3+ MolecularWeight: 474.57468

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CO1)C3=CC=CC=C3)N4CCN(CC4)C(=O)C(=O)N5CCCC5)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CO1)C3=CC=CC=C3)N4CCN(CC4)C(=O)C(=O)N5CCCC5)C#N)C

InChI

InChI=1S/C27H31N5O3/c1-27(2)16-20-21(17-28)24(29-23(22(20)18-35-27)19-8-4-3-5-9-19)30-12-14-32(15-13-30)26(34)25(33)31-10-6-7-11-31/h3-5,8-9H,6-7,10-16,18H2,1-2H3/p+1