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

Systemtic Name: 4-hexadecoxy-2-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Openeye Name: 4-hexadecoxy-2-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide CAS Name: 4-hexadecoxy-2-methoxy-N-[(1-propyl-2-pyridin-1-iumyl)methyl]benzamide IUPAC Name: 4-hexadecoxy-2-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Traditional Name: 4-cetyloxy-2-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Formula: C33H53N2O3+ MolecularWeight: 525.78552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)NCC2=CC=CC=[N+]2CCC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)NCC2=CC=CC=[N+]2CCC)OC

InChI

InChI=1S/C33H52N2O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-26-38-30-22-23-31(32(27-30)37-3)33(36)34-28-29-21-18-19-25-35(29)24-5-2/h18-19,21-23,25,27H,4-17,20,24,26,28H2,1-3H3/p+1