2-azanyl-4-(2,4,6-trimethyl-3-nitro-phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-(2,4,6-trimethyl-3-nitro-phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(2,4,6-trimethyl-3-nitro-phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(2,4,6-trimethyl-3-nitrophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(2,4,6-trimethyl-3-nitrophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(2,4,6-trimethyl-3-nitro-phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C2=C(C(=[NH+]C3=C2CCCCC3)N)C#N)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1C2=C(C(=[NH+]C3=C2CCCCC3)N)C#N)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N4O2/c1-11-9-12(2)19(24(25)26)13(3)17(11)18-14-7-5-4-6-8-16(14)23-20(22)15(18)10-21/h9H,4-8H2,1-3H3,(H2,22,23)/p+1