5,6,7,8-tetrahydronaphthalen-2-yl-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: 5,6,7,8-tetrahydronaphthalen-2-yl-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: tetralin-6-yl-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: 5,6,7,8-tetrahydronaphthalen-2-yl-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: 5,6,7,8-tetrahydronaphthalen-2-yl-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: tetralin-6-yl-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C20H24N2OS/c23-20(18-8-7-16-4-1-2-5-17(16)14-18)22-11-9-21(10-12-22)15-19-6-3-13-24-19/h3,6-8,13-14H,1-2,4-5,9-12,15H2/p+1