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

Systemtic Name: 2-[2-(4-methoxyphenyl)ethylamino]-4,6-dimethyl-5-nitro-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[2-(4-methoxyphenyl)ethylamino]-4,6-dimethyl-5-nitro-pyridin-1-ium-3-carbonitrile CAS Name: 2-[2-(4-methoxyphenyl)ethylamino]-4,6-dimethyl-5-nitro-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[2-(4-methoxyphenyl)ethylamino]-4,6-dimethyl-5-nitropyridin-1-ium-3-carbonitrile Traditional Name: 2-[2-(4-methoxyphenyl)ethylamino]-4,6-dimethyl-5-nitro-pyridin-1-ium-3-carbonitrile Formula: C17H19N4O3+ MolecularWeight: 327.35776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[NH+]C(=C1[N+](=O)[O-])C)NCCC2=CC=C(C=C2)OC)C#N

Isomeric SMILES

CC1=C(C(=[NH+]C(=C1[N+](=O)[O-])C)NCCC2=CC=C(C=C2)OC)C#N

InChI

InChI=1S/C17H18N4O3/c1-11-15(10-18)17(20-12(2)16(11)21(22)23)19-9-8-13-4-6-14(24-3)7-5-13/h4-7H,8-9H2,1-3H3,(H,19,20)/p+1