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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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