N-ethanoyl-4-hexadecoxy-3-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide

Systemtic Name: N-ethanoyl-4-hexadecoxy-3-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Openeye Name: N-acetyl-4-hexadecoxy-3-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide CAS Name: N-acetyl-4-hexadecoxy-3-methoxy-N-[(1-propyl-2-pyridin-1-iumyl)methyl]benzamide IUPAC Name: N-acetyl-4-hexadecoxy-3-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Traditional Name: N-acetyl-4-cetyloxy-3-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Formula: C35H55N2O4+ MolecularWeight: 567.8222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C)OC

InChI

InChI=1S/C35H55N2O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-27-41-33-24-23-31(28-34(33)40-4)35(39)37(30(3)38)29-32-22-19-20-26-36(32)25-6-2/h19-20,22-24,26,28H,5-18,21,25,27,29H2,1-4H3/q+1