5-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]-1,2-oxazole-3-carboxamide Openeye Name: N-[(3S)-1-[(4-isobutylphenyl)methyl]piperidin-1-ium-3-yl]-5-methyl-isoxazole-3-carboxamide CAS Name: 5-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]-3-piperidin-1-iumyl]-3-isoxazolecarboxamide IUPAC Name: 5-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]-1,2-oxazole-3-carboxamide Traditional Name: N-[(3S)-1-(4-isobutylbenzyl)piperidin-1-ium-3-yl]-5-methyl-isoxazole-3-carboxamide Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)NC2CCC[NH+](C2)CC3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CC1=CC(=NO1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C21H29N3O2/c1-15(2)11-17-6-8-18(9-7-17)13-24-10-4-5-19(14-24)22-21(25)20-12-16(3)26-23-20/h6-9,12,15,19H,4-5,10-11,13-14H2,1-3H3,(H,22,25)/p+1/t19-/m0/s1