N-[3-[(S)-(3-bromophenyl)-morpholin-4-ium-4-yl-methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide

Systemtic Name: N-[3-[(S)-(3-bromophenyl)-morpholin-4-ium-4-yl-methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: N-[3-[(S)-(3-bromophenyl)-morpholin-4-ium-4-yl-methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: N-[3-[(S)-(3-bromophenyl)-(4-morpholin-4-iumyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: N-[3-[(S)-(3-bromophenyl)-morpholin-4-ium-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: N-[3-[(S)-(3-bromophenyl)-morpholin-4-ium-4-yl-methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide Formula: C21H26BrN2O2S+ MolecularWeight: 450.41234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(C3=CC(=CC=C3)Br)[NH+]4CCOCC4

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)[C@H](C3=CC(=CC=C3)Br)[NH+]4CCOCC4

InChI

InChI=1S/C21H25BrN2O2S/c1-14(25)23-21-19(17-7-2-3-8-18(17)27-21)20(24-9-11-26-12-10-24)15-5-4-6-16(22)13-15/h4-6,13,20H,2-3,7-12H2,1H3,(H,23,25)/p+1/t20-/m0/s1