4-(3-cyanopyridin-1-ium-2-yl)-N-phenyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-phenyl-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-phenyl-1,4-diazepane-1-carboxamide CAS Name: 4-(3-cyano-2-pyridin-1-iumyl)-N-phenyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-phenyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-phenyl-1,4-diazepane-1-carboxamide Formula: C18H20N5O+ MolecularWeight: 322.3843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2)C3=C(C=CC=[NH+]3)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2)C3=C(C=CC=[NH+]3)C#N

InChI

InChI=1S/C18H19N5O/c19-14-15-6-4-9-20-17(15)22-10-5-11-23(13-12-22)18(24)21-16-7-2-1-3-8-16/h1-4,6-9H,5,10-13H2,(H,21,24)/p+1