(2S)-8-hexanoyl-N-[2-(2-methoxyphenyl)ethyl]-4-thia-8-aza-1-azoniaspiro[4.5]decane-2-carboxamide

Systemtic Name: (2S)-8-hexanoyl-N-[2-(2-methoxyphenyl)ethyl]-4-thia-8-aza-1-azoniaspiro[4.5]decane-2-carboxamide Openeye Name: (2S)-8-hexanoyl-N-[2-(2-methoxyphenyl)ethyl]-4-thia-8-aza-1-azoniaspiro[4.5]decane-2-carboxamide CAS Name: (2S)-N-[2-(2-methoxyphenyl)ethyl]-8-(1-oxohexyl)-4-thia-8-aza-1-azoniaspiro[4.5]decane-2-carboxamide IUPAC Name: (2S)-8-hexanoyl-N-[2-(2-methoxyphenyl)ethyl]-4-thia-8-aza-1-azoniaspiro[4.5]decane-2-carboxamide Traditional Name: (2S)-8-caproyl-N-[2-(2-methoxyphenyl)ethyl]-4-thia-8-aza-1-azoniaspiro[4.5]decane-2-carboxamide Formula: C23H36N3O3S+ MolecularWeight: 434.61524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCC2(CC1)[NH2+]C(CS2)C(=O)NCCC3=CC=CC=C3OC

Isomeric SMILES

CCCCCC(=O)N1CCC2(CC1)[NH2+][C@H](CS2)C(=O)NCCC3=CC=CC=C3OC

InChI

InChI=1S/C23H35N3O3S/c1-3-4-5-10-21(27)26-15-12-23(13-16-26)25-19(17-30-23)22(28)24-14-11-18-8-6-7-9-20(18)29-2/h6-9,19,25H,3-5,10-17H2,1-2H3,(H,24,28)/p+1/t19-/m1/s1