3,4,5-triethoxy-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]benzamide CAS Name: 3,4,5-triethoxy-N-[(1S)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]benzamide Formula: C26H37N2O5+ MolecularWeight: 457.58238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(C[NH+]2CCOCC2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H36N2O5/c1-5-31-23-16-21(17-24(32-6-2)25(23)33-7-3)26(29)27-22(18-28-12-14-30-15-13-28)20-10-8-19(4)9-11-20/h8-11,16-17,22H,5-7,12-15,18H2,1-4H3,(H,27,29)/p+1/t22-/m1/s1