3-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-azaspiro[4.5]decane-2,4-dione

Systemtic Name: 3-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-azaspiro[4.5]decane-2,4-dione Openeye Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-3-azaspiro[4.5]decane-2,4-dione CAS Name: 3-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-azaspiro[4.5]decane-2,4-dione IUPAC Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-3-azaspiro[4.5]decane-2,4-dione Traditional Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-3-azaspiro[4.5]decane-2,4-quinone Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC(=O)N(C2=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCC2(CC1)CC(=O)N(C2=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H29N3O4S/c25-19-15-21(9-5-2-6-10-21)20(26)24(19)17-22-11-13-23(14-12-22)29(27,28)16-18-7-3-1-4-8-18/h1,3-4,7-8H,2,5-6,9-17H2/p+1