[(5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [(5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: [(5R)-5-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: [(5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [(5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: [(5R)-5-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C23H31N2OS+ MolecularWeight: 383.57004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC[C@@H]1CCC2=C(C1)C=C(S2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H30N2OS/c1-2-18-8-9-21-20(16-18)17-22(27-21)23(26)25-14-12-24(13-15-25)11-10-19-6-4-3-5-7-19/h3-7,17-18H,2,8-16H2,1H3/p+1/t18-/m1/s1