N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-1-propyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-1-propyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[(3-chloro-4-tetradecoxy-phenyl)methyl]-1-propyl-pyridin-1-ium-4-carboxamide CAS Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-1-propyl-4-pyridin-1-iumcarboxamide IUPAC Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-1-propylpyridin-1-ium-4-carboxamide Traditional Name: N-(3-chloro-4-myristyloxy-benzyl)-1-propyl-pyridin-1-ium-4-carboxamide Formula: C30H46ClN2O2+ MolecularWeight: 502.15144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=[N+](C=C2)CCC)Cl

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=[N+](C=C2)CCC)Cl

InChI

InChI=1S/C30H45ClN2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-23-35-29-17-16-26(24-28(29)31)25-32-30(34)27-18-21-33(20-4-2)22-19-27/h16-19,21-22,24H,3-15,20,23,25H2,1-2H3/p+1