(4-ethylpiperazin-4-ium-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone Formula: C16H25N2OS+ MolecularWeight: 293.4475

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC3=C(S2)CCCCC3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC3=C(S2)CCCCC3

InChI

InChI=1S/C16H24N2OS/c1-2-17-8-10-18(11-9-17)16(19)15-12-13-6-4-3-5-7-14(13)20-15/h12H,2-11H2,1H3/p+1