2-azanyl-5-methyl-6-[(2S)-2-methylbutyl]-4-(4-nitrophenyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-5-methyl-6-[(2S)-2-methylbutyl]-4-(4-nitrophenyl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-5-methyl-6-[(2S)-2-methylbutyl]-4-(4-nitrophenyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-5-methyl-6-[(2S)-2-methylbutyl]-4-(4-nitrophenyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-5-methyl-6-[(2S)-2-methylbutyl]-4-(4-nitrophenyl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-5-methyl-6-[(2S)-2-methylbutyl]-4-(4-nitrophenyl)pyridin-1-ium-3-carbonitrile Formula: C18H21N4O2+ MolecularWeight: 325.38494

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC[C@H](C)CC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H20N4O2/c1-4-11(2)9-16-12(3)17(15(10-19)18(20)21-16)13-5-7-14(8-6-13)22(23)24/h5-8,11H,4,9H2,1-3H3,(H2,20,21)/p+1/t11-/m0/s1