2-[9-(carboxymethyl)-3,9-bis[2-(dimethylamino)-2-oxidanylidene-ethyl]-3,6,9-triazoniaspiro[5.5]undecan-3-yl]ethanoic acid

Systemtic Name: 2-[9-(carboxymethyl)-3,9-bis[2-(dimethylamino)-2-oxidanylidene-ethyl]-3,6,9-triazoniaspiro[5.5]undecan-3-yl]ethanoic acid Openeye Name: 2-[9-(carboxymethyl)-3,9-bis[2-(dimethylamino)-2-oxo-ethyl]-3,6,9-triazoniaspiro[5.5]undecan-3-yl]acetic acid CAS Name: 2-[9-(carboxymethyl)-3,9-bis[2-(dimethylamino)-2-oxoethyl]-3,6,9-triazoniaspiro[5.5]undecan-3-yl]acetic acid IUPAC Name: 2-[9-(carboxymethyl)-3,9-bis[2-(dimethylamino)-2-oxoethyl]-3,6,9-triazoniaspiro[5.5]undecan-3-yl]acetic acid Traditional Name: 2-[9-(carboxymethyl)-3,9-bis[2-(dimethylamino)-2-keto-ethyl]-3,6,9-triazoniaspiro[5.5]undecan-3-yl]acetic acid Formula: C20H38N5O6+3 MolecularWeight: 444.54562

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[N+]1(CC[N+]2(CC1)CC[N+](CC2)(CC(=O)N(C)C)CC(=O)O)CC(=O)O

Isomeric SMILES

CN(C)C(=O)C[N+]1(CC[N+]2(CC1)CC[N+](CC2)(CC(=O)N(C)C)CC(=O)O)CC(=O)O

InChI

InChI=1S/C20H36N5O6/c1-21(2)17(26)13-24(15-19(28)29)9-5-23(6-10-24)7-11-25(12-8-23,16-20(30)31)14-18(27)22(3)4/h5-16H2,1-4H3/q+1/p+2