2-[4-[(2S)-butan-2-yl]phenoxy]-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-[4-[(2S)-butan-2-yl]phenoxy]-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-[4-[(1S)-1-methylpropyl]phenoxy]-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-[4-[(2S)-butan-2-yl]phenoxy]-N-[4-(1-piperidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-[4-[(2S)-butan-2-yl]phenoxy]-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-[4-[(1S)-1-methylpropyl]phenoxy]-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C24H32N2O2/c1-3-19(2)21-9-13-23(14-10-21)28-18-24(27)25-22-11-7-20(8-12-22)17-26-15-5-4-6-16-26/h7-14,19H,3-6,15-18H2,1-2H3,(H,25,27)/p+1/t19-/m0/s1