[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [(5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [(5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H25N3OS/c1-2-15-6-7-17-16(13-15)14-18(25-17)20(24)23-11-9-22(10-12-23)19-5-3-4-8-21-19/h3-5,8,14-15H,2,6-7,9-13H2,1H3/p+1/t15-/m0/s1