4-[(2S)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide

Systemtic Name: 4-[(2S)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide Openeye Name: 4-[(1S)-1-methylpropoxy]-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide CAS Name: 4-[(2S)-butan-2-yl]oxy-N-[4-(4-morpholin-4-iumylmethyl)phenyl]benzamide IUPAC Name: 4-[(2S)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide Traditional Name: 4-[(1S)-1-methylpropoxy]-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CC[C@H](C)OC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C22H28N2O3/c1-3-17(2)27-21-10-6-19(7-11-21)22(25)23-20-8-4-18(5-9-20)16-24-12-14-26-15-13-24/h4-11,17H,3,12-16H2,1-2H3,(H,23,25)/p+1/t17-/m0/s1