[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [(6R)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [(6R)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-3-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C22H30N3OS+ MolecularWeight: 384.5581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC=C2C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC(C)(C)[C@@H]1CCC2=C(C1)SC=C2C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H29N3OS/c1-22(2,3)16-7-8-17-18(15-27-19(17)14-16)21(26)25-12-10-24(11-13-25)20-6-4-5-9-23-20/h4-6,9,15-16H,7-8,10-14H2,1-3H3/p+1/t16-/m1/s1