6-(4-methoxyphenyl)-2-(4-pyrrolidin-1-ium-1-ylbutylamino)pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-2-(4-pyrrolidin-1-ium-1-ylbutylamino)pyridin-1-ium-3-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-2-(4-pyrrolidin-1-ium-1-ylbutylamino)pyridin-1-ium-3-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-[4-(1-pyrrolidin-1-iumyl)butylamino]-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-(4-methoxyphenyl)-2-(4-pyrrolidin-1-ium-1-ylbutylamino)pyridin-1-ium-3-carbonitrile Traditional Name: 6-(4-methoxyphenyl)-2-(4-pyrrolidin-1-ium-1-ylbutylamino)pyridin-1-ium-3-carbonitrile Formula: C21H28N4O+2 MolecularWeight: 352.47322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=[NH+]C(=C(C=C2)C#N)NCCCC[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=[NH+]C(=C(C=C2)C#N)NCCCC[NH+]3CCCC3

InChI

InChI=1S/C21H26N4O/c1-26-19-9-6-17(7-10-19)20-11-8-18(16-22)21(24-20)23-12-2-3-13-25-14-4-5-15-25/h6-11H,2-5,12-15H2,1H3,(H,23,24)/p+2