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

Systemtic Name: N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]oxane-4-carboxamide Openeye Name: N-[(3S)-1-[(4-isobutylphenyl)methyl]piperidin-1-ium-3-yl]tetrahydropyran-4-carboxamide CAS Name: N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]-3-piperidin-1-iumyl]-4-oxanecarboxamide IUPAC Name: N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]oxane-4-carboxamide Traditional Name: N-[(3S)-1-(4-isobutylbenzyl)piperidin-1-ium-3-yl]tetrahydropyran-4-carboxamide Formula: C22H35N2O2+ MolecularWeight: 359.5255

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C[NH+]2CCCC(C2)NC(=O)C3CCOCC3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)NC(=O)C3CCOCC3

InChI

InChI=1S/C22H34N2O2/c1-17(2)14-18-5-7-19(8-6-18)15-24-11-3-4-21(16-24)23-22(25)20-9-12-26-13-10-20/h5-8,17,20-21H,3-4,9-16H2,1-2H3,(H,23,25)/p+1/t21-/m0/s1