2-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]-2-oxidanyl-propanamide

Systemtic Name: 2-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]-2-oxidanyl-propanamide Openeye Name: 2-hydroxy-N-[(3S)-1-[(4-isobutylphenyl)methyl]piperidin-1-ium-3-yl]-2-methyl-propanamide CAS Name: 2-hydroxy-2-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: 2-hydroxy-2-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]propanamide Traditional Name: 2-hydroxy-N-[(3S)-1-(4-isobutylbenzyl)piperidin-1-ium-3-yl]-2-methyl-propionamide Formula: C20H33N2O2+ MolecularWeight: 333.48822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C[NH+]2CCCC(C2)NC(=O)C(C)(C)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)NC(=O)C(C)(C)O

InChI

InChI=1S/C20H32N2O2/c1-15(2)12-16-7-9-17(10-8-16)13-22-11-5-6-18(14-22)21-19(23)20(3,4)24/h7-10,15,18,24H,5-6,11-14H2,1-4H3,(H,21,23)/p+1/t18-/m0/s1