4-chloranyl-3-hexadecoxy-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide

Systemtic Name: 4-chloranyl-3-hexadecoxy-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide Openeye Name: 4-chloro-3-hexadecoxy-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide CAS Name: 4-chloro-3-hexadecoxy-N-[4-(3-thiazol-3-iumylmethyl)phenyl]benzamide bromide IUPAC Name: 4-chloro-3-hexadecoxy-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide Traditional Name: 3-cetyloxy-4-chloro-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide Formula: C33H46BrClN2O2S MolecularWeight: 650.15254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3)Cl.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3)Cl.[Br-]

InChI

InChI=1S/C33H45ClN2O2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-38-32-25-29(18-21-31(32)34)33(37)35-30-19-16-28(17-20-30)26-36-22-24-39-27-36;/h16-22,24-25,27H,2-15,23,26H2,1H3;1H