2-azanyl-4-methyl-5-[1-(phenylmethyl)pyridin-1-ium-2-yl]-1H-pyrrole-3-carbonitrile

Systemtic Name: 2-azanyl-4-methyl-5-[1-(phenylmethyl)pyridin-1-ium-2-yl]-1H-pyrrole-3-carbonitrile Openeye Name: 2-amino-5-(1-benzylpyridin-1-ium-2-yl)-4-methyl-1H-pyrrole-3-carbonitrile CAS Name: 2-amino-4-methyl-5-[1-(phenylmethyl)-2-pyridin-1-iumyl]-1H-pyrrole-3-carbonitrile IUPAC Name: 2-amino-5-(1-benzylpyridin-1-ium-2-yl)-4-methyl-1H-pyrrole-3-carbonitrile Traditional Name: 2-amino-5-(1-benzylpyridin-1-ium-2-yl)-4-methyl-1H-pyrrole-3-carbonitrile Formula: C18H17N4+ MolecularWeight: 289.35438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C#N)N)C2=CC=CC=[N+]2CC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C#N)N)C2=CC=CC=[N+]2CC3=CC=CC=C3

InChI

InChI=1S/C18H16N4/c1-13-15(11-19)18(20)21-17(13)16-9-5-6-10-22(16)12-14-7-3-2-4-8-14/h2-10H,12H2,1H3,(H2,20,21)/p+1