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

Systemtic Name: N-[1-(3-tert-butyl-4-hexadecoxy-phenyl)propyl]-1-propyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[1-(3-tert-butyl-4-hexadecoxy-phenyl)propyl]-1-propyl-pyridin-1-ium-4-carboxamide CAS Name: N-[1-(3-tert-butyl-4-hexadecoxyphenyl)propyl]-1-propyl-4-pyridin-1-iumcarboxamide IUPAC Name: N-[1-(3-tert-butyl-4-hexadecoxyphenyl)propyl]-1-propylpyridin-1-ium-4-carboxamide Traditional Name: N-[1-(3-tert-butyl-4-cetyloxy-phenyl)propyl]-1-propyl-pyridin-1-ium-4-carboxamide Formula: C38H63N2O2+ MolecularWeight: 579.91902

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C38H62N2O2/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-22-30-42-36-24-23-33(31-34(36)38(4,5)6)35(9-3)39-37(41)32-25-28-40(27-8-2)29-26-32/h23-26,28-29,31,35H,7-22,27,30H2,1-6H3/p+1