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

Systemtic Name: 8-(1-benzothiophen-2-ylmethyl)-4-ethyl-2-(3-pyridin-3-ylpropyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 8-(benzothiophen-2-ylmethyl)-4-ethyl-2-[3-(3-pyridyl)propyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 8-(1-benzothiophen-2-ylmethyl)-4-ethyl-2-[3-(3-pyridinyl)propyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 8-(1-benzothiophen-2-ylmethyl)-4-ethyl-2-(3-pyridin-3-ylpropyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 8-(benzothiophen-2-ylmethyl)-4-ethyl-2-[3-(3-pyridyl)propyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C26H31N4O2S+ MolecularWeight: 463.61494

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)N(C(=O)C12CC[NH+](CC2)CC3=CC4=CC=CC=C4S3)CCCC5=CN=CC=C5

Isomeric SMILES

CCN1C(=O)N(C(=O)C12CC[NH+](CC2)CC3=CC4=CC=CC=C4S3)CCCC5=CN=CC=C5

InChI

InChI=1S/C26H30N4O2S/c1-2-30-25(32)29(14-6-8-20-7-5-13-27-18-20)24(31)26(30)11-15-28(16-12-26)19-22-17-21-9-3-4-10-23(21)33-22/h3-5,7,9-10,13,17-18H,2,6,8,11-12,14-16,19H2,1H3/p+1