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

Systemtic Name: [(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [(5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [(5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C19H24N3OS+ MolecularWeight: 342.47836

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3OS/c1-14-5-6-16-15(12-14)13-17(24-16)19(23)22-10-8-21(9-11-22)18-4-2-3-7-20-18/h2-4,7,13-14H,5-6,8-12H2,1H3/p+1/t14-/m0/s1