N-(3-methoxy-4-tetradecoxy-phenyl)carbonyl-1-propyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-(3-methoxy-4-tetradecoxy-phenyl)carbonyl-1-propyl-pyridin-1-ium-4-carboxamide Openeye Name: N-(3-methoxy-4-tetradecoxy-benzoyl)-1-propyl-pyridin-1-ium-4-carboxamide CAS Name: N-[(3-methoxy-4-tetradecoxyphenyl)-oxomethyl]-1-propyl-4-pyridin-1-iumcarboxamide IUPAC Name: N-(3-methoxy-4-tetradecoxybenzoyl)-1-propylpyridin-1-ium-4-carboxamide Traditional Name: N-(3-methoxy-4-myristyloxy-benzoyl)-1-propyl-pyridin-1-ium-4-carboxamide Formula: C31H47N2O4+ MolecularWeight: 511.71588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NC(=O)C2=CC=[N+](C=C2)CCC)OC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NC(=O)C2=CC=[N+](C=C2)CCC)OC

InChI

InChI=1S/C31H46N2O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-24-37-28-18-17-27(25-29(28)36-3)31(35)32-30(34)26-19-22-33(21-5-2)23-20-26/h17-20,22-23,25H,4-16,21,24H2,1-3H3/p+1