N-(3-tert-butyl-4-tetradecoxy-phenyl)-4-(1,3-thiazol-3-ium-3-ylmethyl)benzamide

Systemtic Name: N-(3-tert-butyl-4-tetradecoxy-phenyl)-4-(1,3-thiazol-3-ium-3-ylmethyl)benzamide Openeye Name: N-(3-tert-butyl-4-tetradecoxy-phenyl)-4-(thiazol-3-ium-3-ylmethyl)benzamide CAS Name: N-(3-tert-butyl-4-tetradecoxyphenyl)-4-(3-thiazol-3-iumylmethyl)benzamide IUPAC Name: N-(3-tert-butyl-4-tetradecoxyphenyl)-4-(1,3-thiazol-3-ium-3-ylmethyl)benzamide Traditional Name: N-(3-tert-butyl-4-myristyloxy-phenyl)-4-(thiazol-3-ium-3-ylmethyl)benzamide Formula: C35H51N2O2S+ MolecularWeight: 563.85664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C[N+]3=CSC=C3)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C[N+]3=CSC=C3)C(C)(C)C

InChI

InChI=1S/C35H50N2O2S/c1-5-6-7-8-9-10-11-12-13-14-15-16-24-39-33-22-21-31(26-32(33)35(2,3)4)36-34(38)30-19-17-29(18-20-30)27-37-23-25-40-28-37/h17-23,25-26,28H,5-16,24,27H2,1-4H3/p+1