4-(5-azanylpyridin-1-ium-2-yl)-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-(5-azanylpyridin-1-ium-2-yl)-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-(5-aminopyridin-1-ium-2-yl)-N-phenyl-piperazine-1-carboxamide CAS Name: 4-(5-amino-2-pyridin-1-iumyl)-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-(5-aminopyridin-1-ium-2-yl)-N-phenylpiperazine-1-carboxamide Traditional Name: 4-(5-aminopyridin-1-ium-2-yl)-N-phenyl-piperazine-1-carboxamide Formula: C16H20N5O+ MolecularWeight: 298.3629

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C16H19N5O/c17-13-6-7-15(18-12-13)20-8-10-21(11-9-20)16(22)19-14-4-2-1-3-5-14/h1-7,12H,8-11,17H2,(H,19,22)/p+1