dodecyl-dimethyl-[(2,3,4,5,6-pentadeuteriophenyl)methyl]azanium

Systemtic Name: dodecyl-dimethyl-[(2,3,4,5,6-pentadeuteriophenyl)methyl]azanium Openeye Name: dodecyl-dimethyl-[(2,3,4,5,6-pentadeuteriophenyl)methyl]ammonium CAS Name: dodecyl-dimethyl-[(2,3,4,5,6-pentadeuteriophenyl)methyl]ammonium IUPAC Name: dodecyl-dimethyl-[(2,3,4,5,6-pentadeuteriophenyl)methyl]azanium Traditional Name: lauryl-dimethyl-(2,3,4,5,6-pentadeuteriobenzyl)ammonium Formula: C21H38N+ MolecularWeight: 309.563929

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])C[N+](C)(C)CCCCCCCCCCCC)[2H])[2H]

InChI

InChI=1S/C21H38N/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21/h13-15,17-18H,4-12,16,19-20H2,1-3H3/q+1/i13D,14D,15D,17D,18D