2-[4-(1-benzothiophen-3-yl)-2-(morpholin-4-ium-4-ylmethyl)phenoxy]-N-(2-methylpropyl)ethanamide

Systemtic Name: 2-[4-(1-benzothiophen-3-yl)-2-(morpholin-4-ium-4-ylmethyl)phenoxy]-N-(2-methylpropyl)ethanamide Openeye Name: 2-[4-(benzothiophen-3-yl)-2-(morpholin-4-ium-4-ylmethyl)phenoxy]-N-isobutyl-acetamide CAS Name: 2-[4-(1-benzothiophen-3-yl)-2-(4-morpholin-4-iumylmethyl)phenoxy]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[4-(1-benzothiophen-3-yl)-2-(morpholin-4-ium-4-ylmethyl)phenoxy]-N-(2-methylpropyl)acetamide Traditional Name: 2-[4-(benzothiophen-3-yl)-2-(morpholin-4-ium-4-ylmethyl)phenoxy]-N-isobutyl-acetamide Formula: C25H31N2O3S+ MolecularWeight: 439.59024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC1=C(C=C(C=C1)C2=CSC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

CC(C)CNC(=O)COC1=C(C=C(C=C1)C2=CSC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C25H30N2O3S/c1-18(2)14-26-25(28)16-30-23-8-7-19(13-20(23)15-27-9-11-29-12-10-27)22-17-31-24-6-4-3-5-21(22)24/h3-8,13,17-18H,9-12,14-16H2,1-2H3,(H,26,28)/p+1