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

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

Systemtic Name:3-hexadecoxy-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]benzamide
Openeye Name:3-hexadecoxy-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]benzamide
CAS Name:3-hexadecoxy-N-[4-(3-thiazol-3-iumylmethyl)phenyl]benzamide
IUPAC Name:3-hexadecoxy-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]benzamide
Traditional Name:3-cetyloxy-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]benzamide
Formula: C33H47N2O2S+
MolecularWeight: 535.80348
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C33H46N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-37-32-18-16-17-30(26-32)33(36)34-31-21-19-29(20-22-31)27-35-23-25-38-28-35/h16-23,25-26,28H,2-15,24,27H2,1H3/p+1


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