N-methyl-N-phenyl-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide

Systemtic Name: N-methyl-N-phenyl-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Openeye Name: N-methyl-N-phenyl-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide CAS Name: N-methyl-N-phenyl-4-(2-pyridin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: N-methyl-N-phenyl-4-pyridin-1-ium-2-ylpiperazine-1-carboxamide Traditional Name: N-methyl-N-phenyl-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Formula: C17H21N4O+ MolecularWeight: 297.37484

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H20N4O/c1-19(15-7-3-2-4-8-15)17(22)21-13-11-20(12-14-21)16-9-5-6-10-18-16/h2-10H,11-14H2,1H3/p+1