8-(1-benzothiophen-2-ylmethyl)-4-methyl-2-(pyridin-3-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione

Systemtic Name: 8-(1-benzothiophen-2-ylmethyl)-4-methyl-2-(pyridin-3-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 8-(benzothiophen-2-ylmethyl)-4-methyl-2-(3-pyridylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 8-(1-benzothiophen-2-ylmethyl)-4-methyl-2-(3-pyridinylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 8-(1-benzothiophen-2-ylmethyl)-4-methyl-2-(pyridin-3-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 8-(benzothiophen-2-ylmethyl)-4-methyl-2-(3-pyridylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C23H25N4O2S+ MolecularWeight: 421.5352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(C(=O)C12CC[NH+](CC2)CC3=CC4=CC=CC=C4S3)CC5=CN=CC=C5

Isomeric SMILES

CN1C(=O)N(C(=O)C12CC[NH+](CC2)CC3=CC4=CC=CC=C4S3)CC5=CN=CC=C5

InChI

InChI=1S/C23H24N4O2S/c1-25-22(29)27(15-17-5-4-10-24-14-17)21(28)23(25)8-11-26(12-9-23)16-19-13-18-6-2-3-7-20(18)30-19/h2-7,10,13-14H,8-9,11-12,15-16H2,1H3/p+1