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

Systemtic Name: 2-(4-chloranyl-2-tetradecoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(4-chloro-2-tetradecoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(4-chloro-2-tetradecoxyphenyl)-N-[4-(1-pyridin-1-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(4-chloro-2-tetradecoxyphenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(4-chloro-2-myristyloxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide Formula: C34H46BrClN2O2 MolecularWeight: 630.09824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)Cl)CC(=O)NC2=CC=C(C=C2)C[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)Cl)CC(=O)NC2=CC=C(C=C2)C[N+]3=CC=CC=C3.[Br-]

InChI

InChI=1S/C34H45ClN2O2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-16-25-39-33-27-31(35)20-19-30(33)26-34(38)36-32-21-17-29(18-22-32)28-37-23-14-13-15-24-37;/h13-15,17-24,27H,2-12,16,25-26,28H2,1H3;1H