5-phenyl-2-(4-pyrrolidin-1-ium-1-ylbutylamino)pyridin-1-ium-3-carbonitrile

Systemtic Name: 5-phenyl-2-(4-pyrrolidin-1-ium-1-ylbutylamino)pyridin-1-ium-3-carbonitrile Openeye Name: 5-phenyl-2-(4-pyrrolidin-1-ium-1-ylbutylamino)pyridin-1-ium-3-carbonitrile CAS Name: 5-phenyl-2-[4-(1-pyrrolidin-1-iumyl)butylamino]-3-pyridin-1-iumcarbonitrile IUPAC Name: 5-phenyl-2-(4-pyrrolidin-1-ium-1-ylbutylamino)pyridin-1-ium-3-carbonitrile Traditional Name: 5-phenyl-2-(4-pyrrolidin-1-ium-1-ylbutylamino)pyridin-1-ium-3-carbonitrile Formula: C20H26N4+2 MolecularWeight: 322.44724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCCNC2=[NH+]C=C(C=C2C#N)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)CCCCNC2=[NH+]C=C(C=C2C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4/c21-15-18-14-19(17-8-2-1-3-9-17)16-23-20(18)22-10-4-5-11-24-12-6-7-13-24/h1-3,8-9,14,16H,4-7,10-13H2,(H,22,23)/p+2