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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H51N2O3S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-24-40-35-27-32(19-20-34(35)39-2)29-37(21-16-23-38)33-18-15-17-31(26-33)28-36-22-25-41-30-36;/h15,17-20,22-23,25-27,30H,3-14,16,21,24,28-29H2,1-2H3;1H/q+1;/p-1