N-(3-imidazol-1-ylpropyl)-1-[2-(1-methoxypyridin-1-ium-4-yl)ethanoyl]-4-methyl-piperazine-2-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-1-[2-(1-methoxypyridin-1-ium-4-yl)ethanoyl]-4-methyl-piperazine-2-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-1-[2-(1-methoxypyridin-1-ium-4-yl)acetyl]-4-methyl-piperazine-2-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-1-[2-(1-methoxy-4-pyridin-1-iumyl)-1-oxoethyl]-4-methyl-2-piperazinecarboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-1-[2-(1-methoxypyridin-1-ium-4-yl)acetyl]-4-methylpiperazine-2-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-1-[2-(1-methoxypyridin-1-ium-4-yl)acetyl]-4-methyl-piperazine-2-carboxamide Formula: C20H29N6O3+ MolecularWeight: 401.48266

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C(=O)NCCCN2C=CN=C2)C(=O)CC3=CC=[N+](C=C3)OC

Isomeric SMILES

CN1CCN(C(C1)C(=O)NCCCN2C=CN=C2)C(=O)CC3=CC=[N+](C=C3)OC

InChI

InChI=1S/C20H28N6O3/c1-23-12-13-26(19(27)14-17-4-9-25(29-2)10-5-17)18(15-23)20(28)22-6-3-8-24-11-7-21-16-24/h4-5,7,9-11,16,18H,3,6,8,12-15H2,1-2H3/p+1