[10-methyl-8-(phosphonomethyl)-1,4-dioxa-10-aza-8-azoniacyclotridec-8-yl]methylphosphonic acid

Systemtic Name: [10-methyl-8-(phosphonomethyl)-1,4-dioxa-10-aza-8-azoniacyclotridec-8-yl]methylphosphonic acid Openeye Name: [10-methyl-8-(phosphonomethyl)-1,4-dioxa-10-aza-8-azoniacyclotridec-8-yl]methylphosphonic acid CAS Name: [10-methyl-8-(phosphonomethyl)-1,4-dioxa-10-aza-8-azoniacyclotridec-8-yl]methylphosphonic acid IUPAC Name: [10-methyl-8-(phosphonomethyl)-1,4-dioxa-10-aza-8-azoniacyclotridec-8-yl]methylphosphonic acid Traditional Name: [10-methyl-8-(phosphonomethyl)-1,4-dioxa-10-aza-8-azoniacyclotridec-8-yl]methylphosphonic acid Formula: C12H29N2O8P2+ MolecularWeight: 391.314782

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCOCCOCCC[N+](C1)(CP(=O)(O)O)CP(=O)(O)O

Isomeric SMILES

CN1CCCOCCOCCC[N+](C1)(CP(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C12H28N2O8P2/c1-13-4-2-6-21-8-9-22-7-3-5-14(10-13,11-23(15,16)17)12-24(18,19)20/h2-12H2,1H3,(H3-,15,16,17,18,19,20)/p+1