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

Systemtic Name: N-[(4-dodecoxyphenyl)methyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]propanamide Openeye Name: N-[(4-dodecoxyphenyl)methyl]-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]propanamide CAS Name: N-[(4-dodecoxyphenyl)methyl]-N-[4-(3-thiazol-3-iumylmethyl)phenyl]propanamide IUPAC Name: N-[(4-dodecoxyphenyl)methyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]propanamide Traditional Name: N-(4-lauryloxybenzyl)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]propionamide Formula: C32H45N2O2S+ MolecularWeight: 521.7769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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