2-[(4-methylpiperazin-4-ium-1-yl)methylideneamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile

Systemtic Name: 2-[(4-methylpiperazin-4-ium-1-yl)methylideneamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile Openeye Name: 2-[(4-methylpiperazin-4-ium-1-yl)methyleneamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile CAS Name: 2-[(4-methyl-1-piperazin-4-iumyl)methylideneamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile IUPAC Name: 2-[(4-methylpiperazin-4-ium-1-yl)methylideneamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile Traditional Name: 2-[(4-methylpiperazin-4-ium-1-yl)methyleneamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile Formula: C16H23N4S+ MolecularWeight: 303.44562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C=NC2=C(C3=C(S2)CCCCC3)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C=NC2=C(C3=C(S2)CCCCC3)C#N

InChI

InChI=1S/C16H22N4S/c1-19-7-9-20(10-8-19)12-18-16-14(11-17)13-5-3-2-4-6-15(13)21-16/h12H,2-10H2,1H3/p+1