(2S)-8-pentanoyl-N-phenethyl-4-thia-8-aza-1-azoniaspiro[4.5]decane-2-carboxamide

Systemtic Name: (2S)-8-pentanoyl-N-phenethyl-4-thia-8-aza-1-azoniaspiro[4.5]decane-2-carboxamide Openeye Name: (2S)-8-pentanoyl-N-phenethyl-4-thia-8-aza-1-azoniaspiro[4.5]decane-2-carboxamide CAS Name: (2S)-8-(1-oxopentyl)-N-phenethyl-4-thia-8-aza-1-azoniaspiro[4.5]decane-2-carboxamide IUPAC Name: (2S)-8-pentanoyl-N-phenethyl-4-thia-8-aza-1-azoniaspiro[4.5]decane-2-carboxamide Traditional Name: (2S)-N-phenethyl-8-valeryl-4-thia-8-aza-1-azoniaspiro[4.5]decane-2-carboxamide Formula: C21H32N3O2S+ MolecularWeight: 390.56268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCC2(CC1)[NH2+]C(CS2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)N1CCC2(CC1)[NH2+][C@H](CS2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O2S/c1-2-3-9-19(25)24-14-11-21(12-15-24)23-18(16-27-21)20(26)22-13-10-17-7-5-4-6-8-17/h4-8,18,23H,2-3,9-16H2,1H3,(H,22,26)/p+1/t18-/m1/s1