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

Systemtic Name: N-[(3-methoxy-4-tetradecoxy-phenyl)methyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]propanamide bromide Openeye Name: N-[(3-methoxy-4-tetradecoxy-phenyl)methyl]-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]propanamide bromide CAS Name: N-[(3-methoxy-4-tetradecoxyphenyl)methyl]-N-[4-(3-thiazol-3-iumylmethyl)phenyl]propanamide bromide IUPAC Name: N-[(3-methoxy-4-tetradecoxyphenyl)methyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]propanamide bromide Traditional Name: N-(3-methoxy-4-myristyloxy-benzyl)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]propionamide bromide Formula: C35H51BrN2O3S MolecularWeight: 659.76004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H51N2O3S.BrH/c1-4-6-7-8-9-10-11-12-13-14-15-16-24-40-33-22-19-31(26-34(33)39-3)28-37(35(38)5-2)32-20-17-30(18-21-32)27-36-23-25-41-29-36;/h17-23,25-26,29H,4-16,24,27-28H2,1-3H3;1H/q+1;/p-1