N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-propan-2-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide

Systemtic Name: N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-propan-2-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide Openeye Name: 3-isopropyl-N-[[1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)isoxazole-5-carboxamide CAS Name: N-[[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]-3-propan-2-yl-N-(3-pyridinylmethyl)-5-isoxazolecarboxamide IUPAC Name: N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-propan-2-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide Traditional Name: 3-isopropyl-N-[[1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)isoxazole-5-carboxamide Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)C4=CC(=NO4)C(C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)C4=CC(=NO4)C(C)C

InChI

InChI=1S/C27H34N4O2/c1-20(2)25-15-26(33-29-25)27(32)31(18-23-8-6-12-28-16-23)17-22-10-13-30(14-11-22)19-24-9-5-4-7-21(24)3/h4-9,12,15-16,20,22H,10-11,13-14,17-19H2,1-3H3/p+1