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

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-ethoxy-benzamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-ethoxy-benzamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-iumyl)ethyl]-4-ethoxybenzamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-ylethyl]-4-ethoxybenzamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-ethoxy-benzamide Formula: C22H27N2O5+ MolecularWeight: 399.46018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(C2=CC3=C(C=C2)OCO3)[NH+]4CCOCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC[C@H](C2=CC3=C(C=C2)OCO3)[NH+]4CCOCC4

InChI

InChI=1S/C22H26N2O5/c1-2-27-18-6-3-16(4-7-18)22(25)23-14-19(24-9-11-26-12-10-24)17-5-8-20-21(13-17)29-15-28-20/h3-8,13,19H,2,9-12,14-15H2,1H3,(H,23,25)/p+1/t19-/m1/s1