N-(3-imidazol-1-ylpropyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-1-o-anisyl-piperidin-1-ium-4-carboxamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C20H28N4O2/c1-26-19-6-3-2-5-18(19)15-23-12-7-17(8-13-23)20(25)22-9-4-11-24-14-10-21-16-24/h2-3,5-6,10,14,16-17H,4,7-9,11-13,15H2,1H3,(H,22,25)/p+1