[2-[(E)-dodec-1-enyl]-3-oxidanyl-4,7-bis(oxidanylidene)oxepan-2-yl]-dimethyl-prop-2-enyl-azanium

Systemtic Name: [2-[(E)-dodec-1-enyl]-3-oxidanyl-4,7-bis(oxidanylidene)oxepan-2-yl]-dimethyl-prop-2-enyl-azanium Openeye Name: allyl-[2-[(E)-dodec-1-enyl]-3-hydroxy-4,7-dioxo-oxepan-2-yl]-dimethyl-ammonium CAS Name: [2-[(E)-dodec-1-enyl]-3-hydroxy-4,7-dioxo-2-oxepanyl]-dimethyl-prop-2-enylammonium IUPAC Name: [2-[(E)-dodec-1-enyl]-3-hydroxy-4,7-dioxooxepan-2-yl]-dimethyl-prop-2-enylazanium Traditional Name: allyl-[2-[(E)-dodec-1-enyl]-3-hydroxy-4,7-diketo-oxepan-2-yl]-dimethyl-ammonium Formula: C23H40NO4+ MolecularWeight: 394.568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CC1(C(C(=O)CCC(=O)O1)O)[N+](C)(C)CC=C

Isomeric SMILES

CCCCCCCCCC/C=C/C1(C(C(=O)CCC(=O)O1)O)[N+](C)(C)CC=C

InChI

InChI=1S/C23H40NO4/c1-5-7-8-9-10-11-12-13-14-15-18-23(24(3,4)19-6-2)22(27)20(25)16-17-21(26)28-23/h6,15,18,22,27H,2,5,7-14,16-17,19H2,1,3-4H3/q+1/b18-15+