2-azanyl-4-(4-methylphenyl)-6-pyrrolidin-1-yl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(4-methylphenyl)-6-pyrrolidin-1-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(p-tolyl)-6-pyrrolidin-1-yl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-methylphenyl)-6-(1-pyrrolidinyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-methylphenyl)-6-pyrrolidin-1-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(p-tolyl)-6-pyrrolidino-pyridin-1-ium-3,5-dicarbonitrile Formula: C18H18N5+ MolecularWeight: 304.36902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)N)N3CCCC3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)N)N3CCCC3)C#N

InChI

InChI=1S/C18H17N5/c1-12-4-6-13(7-5-12)16-14(10-19)17(21)22-18(15(16)11-20)23-8-2-3-9-23/h4-7H,2-3,8-9H2,1H3,(H2,21,22)/p+1