N-[1-(3-chloranyl-4-hexadecoxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide

Systemtic Name: N-[1-(3-chloranyl-4-hexadecoxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide Openeye Name: N-[1-(3-chloro-4-hexadecoxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide CAS Name: N-[1-(3-chloro-4-hexadecoxyphenyl)ethyl]-1-propyl-2-pyridin-1-iumcarboxamide IUPAC Name: N-[1-(3-chloro-4-hexadecoxyphenyl)ethyl]-1-propylpyridin-1-ium-2-carboxamide Traditional Name: N-[1-(4-cetyloxy-3-chloro-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide Formula: C33H52ClN2O2+ MolecularWeight: 544.23118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2CCC)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2CCC)Cl

InChI

InChI=1S/C33H51ClN2O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-26-38-32-23-22-29(27-30(32)34)28(3)35-33(37)31-21-18-19-25-36(31)24-5-2/h18-19,21-23,25,27-28H,4-17,20,24,26H2,1-3H3/p+1