(2S)-N-(1,3-benzodioxol-5-ylmethyl)-4-thia-1,8-diazoniaspiro[4.5]decane-2-carboxamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-4-thia-1,8-diazoniaspiro[4.5]decane-2-carboxamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-4-thia-1,8-diazoniaspiro[4.5]decane-2-carboxamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-4-thia-1,8-diazoniaspiro[4.5]decane-2-carboxamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-4-thia-1,8-diazoniaspiro[4.5]decane-2-carboxamide Traditional Name: (2S)-N-piperonyl-4-thia-1,8-diazoniaspiro[4.5]decane-2-carboxamide Formula: C16H23N3O3S+2 MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC12[NH2+]C(CS2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH2+]CCC12[NH2+][C@H](CS2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H21N3O3S/c20-15(12-9-23-16(19-12)3-5-17-6-4-16)18-8-11-1-2-13-14(7-11)22-10-21-13/h1-2,7,12,17,19H,3-6,8-10H2,(H,18,20)/p+2/t12-/m1/s1