11-butyl-9-cyclohexyl-3-[(5-ethylthiophen-2-yl)methyl]-11-methyl-3,8-diaza-11-azoniaspiro[5.5]undecane-7,10-dione hydrochloride

Systemtic Name: 11-butyl-9-cyclohexyl-3-[(5-ethylthiophen-2-yl)methyl]-11-methyl-3,8-diaza-11-azoniaspiro[5.5]undecane-7,10-dione hydrochloride Openeye Name: 11-butyl-9-cyclohexyl-3-[(5-ethyl-2-thienyl)methyl]-11-methyl-3,8-diaza-11-azoniaspiro[5.5]undecane-7,10-dione hydrochloride CAS Name: 11-butyl-9-cyclohexyl-3-[(5-ethyl-2-thiophenyl)methyl]-11-methyl-3,8-diaza-11-azoniaspiro[5.5]undecane-7,10-dione hydrochloride IUPAC Name: 11-butyl-9-cyclohexyl-3-[(5-ethylthiophen-2-yl)methyl]-11-methyl-3,8-diaza-11-azoniaspiro[5.5]undecane-7,10-dione hydrochloride Traditional Name: 11-butyl-9-cyclohexyl-3-[(5-ethyl-2-thienyl)methyl]-11-methyl-3,8-diaza-11-azoniaspiro[5.5]undecane-7,10-quinone hydrochloride Formula: C26H43ClN3O2S+ MolecularWeight: 497.15652

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C(=O)C(NC(=O)C12CCN(CC2)CC3=CC=C(S3)CC)C4CCCCC4)C.Cl

Isomeric SMILES

CCCC[N+]1(C(=O)C(NC(=O)C12CCN(CC2)CC3=CC=C(S3)CC)C4CCCCC4)C.Cl

InChI

InChI=1S/C26H41N3O2S.ClH/c1-4-6-18-29(3)24(30)23(20-10-8-7-9-11-20)27-25(31)26(29)14-16-28(17-15-26)19-22-13-12-21(5-2)32-22;/h12-13,20,23H,4-11,14-19H2,1-3H3;1H/p+1