(4S)-2-azanyl-6-ethyl-4-(2-methylphenyl)-8-[(2-methylphenyl)methyl]-5,6-dihydro-4H-pyrano[3,2-c]pyridin-6-ium-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-6-ethyl-4-(2-methylphenyl)-8-[(2-methylphenyl)methyl]-5,6-dihydro-4H-pyrano[3,2-c]pyridin-6-ium-3-carbonitrile Openeye Name: (4S)-2-amino-6-ethyl-4-(o-tolyl)-8-(o-tolylmethyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridin-6-ium-3-carbonitrile CAS Name: (4S)-2-amino-6-ethyl-4-(2-methylphenyl)-8-[(2-methylphenyl)methyl]-5,6-dihydro-4H-pyrano[3,2-c]pyridin-6-ium-3-carbonitrile IUPAC Name: (4S)-2-amino-6-ethyl-4-(2-methylphenyl)-8-[(2-methylphenyl)methyl]-5,6-dihydro-4H-pyrano[3,2-c]pyridin-6-ium-3-carbonitrile Traditional Name: (4S)-2-amino-6-ethyl-8-(2-methylbenzyl)-4-(o-tolyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridin-6-ium-3-carbonitrile Formula: C26H28N3O+ MolecularWeight: 398.52002

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC2=C(C(=C1)CC3=CC=CC=C3C)OC(=C(C2C4=CC=CC=C4C)C#N)N

Isomeric SMILES

CC[NH+]1CC2=C(C(=C1)CC3=CC=CC=C3C)OC(=C([C@H]2C4=CC=CC=C4C)C#N)N

InChI

InChI=1S/C26H27N3O/c1-4-29-15-20(13-19-11-7-5-9-17(19)2)25-23(16-29)24(22(14-27)26(28)30-25)21-12-8-6-10-18(21)3/h5-12,15,24H,4,13,16,28H2,1-3H3/p+1/t24-/m1/s1