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

Systemtic Name: 2-acetamido-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]ethanamide Openeye Name: 2-acetamido-N-[(3S)-1-[(4-isobutylphenyl)methyl]piperidin-1-ium-3-yl]acetamide CAS Name: 2-acetamido-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-acetamido-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]acetamide Traditional Name: 2-acetamido-N-[(3S)-1-(4-isobutylbenzyl)piperidin-1-ium-3-yl]acetamide Formula: C20H32N3O2+ MolecularWeight: 346.48698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O2/c1-15(2)11-17-6-8-18(9-7-17)13-23-10-4-5-19(14-23)22-20(25)12-21-16(3)24/h6-9,15,19H,4-5,10-14H2,1-3H3,(H,21,24)(H,22,25)/p+1/t19-/m0/s1