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

Systemtic Name: N-[(3-tetradecoxyphenyl)methyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]propanamide bromide Openeye Name: N-[(3-tetradecoxyphenyl)methyl]-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]propanamide bromide CAS Name: N-[(3-tetradecoxyphenyl)methyl]-N-[4-(3-thiazol-3-iumylmethyl)phenyl]propanamide bromide IUPAC Name: N-[(3-tetradecoxyphenyl)methyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]propanamide bromide Traditional Name: N-(3-myristyloxybenzyl)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]propionamide bromide Formula: C34H49BrN2O2S MolecularWeight: 629.73406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1)CN(C2=CC=C(C=C2)C[N+]3=CSC=C3)C(=O)CC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1)CN(C2=CC=C(C=C2)C[N+]3=CSC=C3)C(=O)CC.[Br-]

InChI

InChI=1S/C34H49N2O2S.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-24-38-33-18-16-17-31(26-33)28-36(34(37)4-2)32-21-19-30(20-22-32)27-35-23-25-39-29-35;/h16-23,25-26,29H,3-15,24,27-28H2,1-2H3;1H/q+1;/p-1