N-[(3-dodecoxyphenyl)methyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]propanamide bromide

Systemtic Name: N-[(3-dodecoxyphenyl)methyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]propanamide bromide Openeye Name: N-[(3-dodecoxyphenyl)methyl]-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]propanamide bromide CAS Name: N-[(3-dodecoxyphenyl)methyl]-N-[4-(3-thiazol-3-iumylmethyl)phenyl]propanamide bromide IUPAC Name: N-[(3-dodecoxyphenyl)methyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]propanamide bromide Traditional Name: N-(3-lauryloxybenzyl)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]propionamide bromide Formula: C32H45BrN2O2S MolecularWeight: 601.6809

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=CC(=C1)CN(C2=CC=C(C=C2)C[N+]3=CSC=C3)C(=O)CC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=CC(=C1)CN(C2=CC=C(C=C2)C[N+]3=CSC=C3)C(=O)CC.[Br-]

InChI

InChI=1S/C32H45N2O2S.BrH/c1-3-5-6-7-8-9-10-11-12-13-22-36-31-16-14-15-29(24-31)26-34(32(35)4-2)30-19-17-28(18-20-30)25-33-21-23-37-27-33;/h14-21,23-24,27H,3-13,22,25-26H2,1-2H3;1H/q+1;/p-1