4,6-dimethyl-5-nitro-2-[(3,4,5-trimethoxyphenyl)methylamino]pyridin-1-ium-3-carbonitrile

Systemtic Name: 4,6-dimethyl-5-nitro-2-[(3,4,5-trimethoxyphenyl)methylamino]pyridin-1-ium-3-carbonitrile Openeye Name: 4,6-dimethyl-5-nitro-2-[(3,4,5-trimethoxyphenyl)methylamino]pyridin-1-ium-3-carbonitrile CAS Name: 4,6-dimethyl-5-nitro-2-[(3,4,5-trimethoxyphenyl)methylamino]-3-pyridin-1-iumcarbonitrile IUPAC Name: 4,6-dimethyl-5-nitro-2-[(3,4,5-trimethoxyphenyl)methylamino]pyridin-1-ium-3-carbonitrile Traditional Name: 4,6-dimethyl-5-nitro-2-[(3,4,5-trimethoxybenzyl)amino]pyridin-1-ium-3-carbonitrile Formula: C18H21N4O5+ MolecularWeight: 373.38314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[NH+]C(=C1[N+](=O)[O-])C)NCC2=CC(=C(C(=C2)OC)OC)OC)C#N

Isomeric SMILES

CC1=C(C(=[NH+]C(=C1[N+](=O)[O-])C)NCC2=CC(=C(C(=C2)OC)OC)OC)C#N

InChI

InChI=1S/C18H20N4O5/c1-10-13(8-19)18(21-11(2)16(10)22(23)24)20-9-12-6-14(25-3)17(27-5)15(7-12)26-4/h6-7H,9H2,1-5H3,(H,20,21)/p+1