6-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridin-1-ium-3-carbonitrile Openeye Name: 6-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridin-1-ium-3-carbonitrile CAS Name: 6-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridin-1-ium-3-carbonitrile Traditional Name: 6-[[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amino]pyridin-1-ium-3-carbonitrile Formula: C18H22N4+2 MolecularWeight: 294.39408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC3=[NH+]C=C(C=C3)C#N

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC3=[NH+]C=C(C=C3)C#N

InChI

InChI=1S/C18H20N4/c19-11-15-7-8-18(20-12-15)21-13-16-5-1-2-6-17(16)14-22-9-3-4-10-22/h1-2,5-8,12H,3-4,9-10,13-14H2,(H,20,21)/p+2