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

Systemtic Name: 3-chloranyl-4-hexadecoxy-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]benzamide Openeye Name: 3-chloro-4-hexadecoxy-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]benzamide CAS Name: 3-chloro-4-hexadecoxy-N-[4-(3-thiazol-3-iumylmethyl)phenyl]benzamide IUPAC Name: 3-chloro-4-hexadecoxy-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]benzamide Traditional Name: 4-cetyloxy-3-chloro-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]benzamide Formula: C33H46ClN2O2S+ MolecularWeight: 570.24854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H45ClN2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-38-32-21-18-29(25-31(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/p+1