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

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone Formula: C15H23N2OS+ MolecularWeight: 279.42092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2OS/c1-16-7-9-17(10-8-16)15(18)14-11-12-5-3-2-4-6-13(12)19-14/h11H,2-10H2,1H3/p+1