N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide

Systemtic Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide CAS Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]benzamide IUPAC Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: N-(3-tert-butyl-4-lauryloxy-benzyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide Formula: C38H55N2O2+ MolecularWeight: 571.8555

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CC)C(=O)C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CC)C(=O)C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C38H55N2O2/c1-6-8-9-10-11-12-13-14-15-19-27-42-36-25-24-32(28-35(36)38(3,4)5)30-40(37(41)34-22-17-16-18-23-34)31-33-21-20-26-39(7-2)29-33/h16-18,20-26,28-29H,6-15,19,27,30-31H2,1-5H3/q+1