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

Systemtic Name: 1,4-diazepan-4-ium-1-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone Traditional Name: 1,4-diazepan-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:

C1CCC2=C(CC1)SC(=C2)C(=O)N3CCC[NH2+]CC3

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2)C(=O)N3CCC[NH2+]CC3

InChI

InChI=1S/C15H22N2OS/c18-15(17-9-4-7-16-8-10-17)14-11-12-5-2-1-3-6-13(12)19-14/h11,16H,1-10H2/p+1