4-(3-cyanopyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide Openeye Name: N-(4-benzyloxyphenyl)-4-(3-cyanopyridin-1-ium-2-yl)piperazine-1-carboxamide CAS Name: 4-(3-cyano-2-pyridin-1-iumyl)-N-(4-phenylmethoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide Traditional Name: N-(4-benzoxyphenyl)-4-(3-cyanopyridin-1-ium-2-yl)piperazine-1-carboxamide Formula: C24H24N5O2+ MolecularWeight: 414.47966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=[NH+]2)C#N)C(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=[NH+]2)C#N)C(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H23N5O2/c25-17-20-7-4-12-26-23(20)28-13-15-29(16-14-28)24(30)27-21-8-10-22(11-9-21)31-18-19-5-2-1-3-6-19/h1-12H,13-16,18H2,(H,27,30)/p+1