4-(methoxymethyl)-6-methyl-5-nitro-2-[(phenylmethyl)amino]pyridin-1-ium-3-carbonitrile

Systemtic Name: 4-(methoxymethyl)-6-methyl-5-nitro-2-[(phenylmethyl)amino]pyridin-1-ium-3-carbonitrile Openeye Name: 2-(benzylamino)-4-(methoxymethyl)-6-methyl-5-nitro-pyridin-1-ium-3-carbonitrile CAS Name: 4-(methoxymethyl)-6-methyl-5-nitro-2-[(phenylmethyl)amino]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-(benzylamino)-4-(methoxymethyl)-6-methyl-5-nitropyridin-1-ium-3-carbonitrile Traditional Name: 2-(benzylamino)-4-(methoxymethyl)-6-methyl-5-nitro-pyridin-1-ium-3-carbonitrile Formula: C16H17N4O3+ MolecularWeight: 313.33118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=[NH+]1)NCC2=CC=CC=C2)C#N)COC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C(=[NH+]1)NCC2=CC=CC=C2)C#N)COC)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O3/c1-11-15(20(21)22)14(10-23-2)13(8-17)16(19-11)18-9-12-6-4-3-5-7-12/h3-7H,9-10H2,1-2H3,(H,18,19)/p+1