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

Systemtic Name: 2-hexadecoxy-3-methoxy-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]benzamide Openeye Name: 2-hexadecoxy-3-methoxy-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]benzamide CAS Name: 2-hexadecoxy-3-methoxy-N-[4-(3-thiazol-3-iumylmethyl)phenyl]benzamide IUPAC Name: 2-hexadecoxy-3-methoxy-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]benzamide Traditional Name: 2-cetyloxy-3-methoxy-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]benzamide Formula: C34H49N2O3S+ MolecularWeight: 565.82946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=CC=C1OC)C(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=CC=C1OC)C(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3

InChI

InChI=1S/C34H48N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-39-33-31(18-17-19-32(33)38-2)34(37)35-30-22-20-29(21-23-30)27-36-24-26-40-28-36/h17-24,26,28H,3-16,25,27H2,1-2H3/p+1