N-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methylpropyl)quinoline-3-carboxamide

Systemtic Name: N-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methylpropyl)quinoline-3-carboxamide Openeye Name: N-isobutyl-N-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]quinoline-3-carboxamide CAS Name: N-[[1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]methyl]-N-(2-methylpropyl)-3-quinolinecarboxamide IUPAC Name: N-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methylpropyl)quinoline-3-carboxamide Traditional Name: N-isobutyl-N-[(1-o-anisylpiperidin-1-ium-4-yl)methyl]quinoline-3-carboxamide Formula: C28H36N3O2+ MolecularWeight: 446.60434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1CC[NH+](CC1)CC2=CC=CC=C2OC)C(=O)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CC(C)CN(CC1CC[NH+](CC1)CC2=CC=CC=C2OC)C(=O)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C28H35N3O2/c1-21(2)18-31(28(32)25-16-23-8-4-6-10-26(23)29-17-25)19-22-12-14-30(15-13-22)20-24-9-5-7-11-27(24)33-3/h4-11,16-17,21-22H,12-15,18-20H2,1-3H3/p+1