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

Systemtic Name: N-[1-(3-chloranyl-4-hexadecoxy-phenyl)propyl]-1-propyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[1-(3-chloro-4-hexadecoxy-phenyl)propyl]-1-propyl-pyridin-1-ium-4-carboxamide CAS Name: N-[1-(3-chloro-4-hexadecoxyphenyl)propyl]-1-propyl-4-pyridin-1-iumcarboxamide IUPAC Name: N-[1-(3-chloro-4-hexadecoxyphenyl)propyl]-1-propylpyridin-1-ium-4-carboxamide Traditional Name: N-[1-(4-cetyloxy-3-chloro-phenyl)propyl]-1-propyl-pyridin-1-ium-4-carboxamide Formula: C34H54ClN2O2+ MolecularWeight: 558.25776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(CC)NC(=O)C2=CC=[N+](C=C2)CCC)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(CC)NC(=O)C2=CC=[N+](C=C2)CCC)Cl

InChI

InChI=1S/C34H53ClN2O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-27-39-33-21-20-30(28-31(33)35)32(6-3)36-34(38)29-22-25-37(24-5-2)26-23-29/h20-23,25-26,28,32H,4-19,24,27H2,1-3H3/p+1