2-(3-methoxy-4-tetradecoxy-phenyl)-N-[2-(pyridin-1-ium-1-ylmethyl)phenyl]ethanamide bromide

Systemtic Name: 2-(3-methoxy-4-tetradecoxy-phenyl)-N-[2-(pyridin-1-ium-1-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(3-methoxy-4-tetradecoxy-phenyl)-N-[2-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(3-methoxy-4-tetradecoxyphenyl)-N-[2-(1-pyridin-1-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(3-methoxy-4-tetradecoxyphenyl)-N-[2-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(3-methoxy-4-myristyloxy-phenyl)-N-[2-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide Formula: C35H49BrN2O3 MolecularWeight: 625.67916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NC2=CC=CC=C2C[N+]3=CC=CC=C3)OC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NC2=CC=CC=C2C[N+]3=CC=CC=C3)OC.[Br-]

InChI

InChI=1S/C35H48N2O3.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-19-26-40-33-23-22-30(27-34(33)39-2)28-35(38)36-32-21-16-15-20-31(32)29-37-24-17-14-18-25-37;/h14-18,20-25,27H,3-13,19,26,28-29H2,1-2H3;1H