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

Systemtic Name: 2-(3-methoxy-2-tetradecoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(3-methoxy-2-tetradecoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(3-methoxy-2-tetradecoxyphenyl)-N-[4-(1-pyridin-1-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(3-methoxy-2-tetradecoxyphenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(3-methoxy-2-myristyloxy-phenyl)-N-[4-(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=CC=C1OC)CC(=O)NC2=CC=C(C=C2)C[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1OC)CC(=O)NC2=CC=C(C=C2)C[N+]3=CC=CC=C3.[Br-]

InChI

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