2-chloranyl-N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide

Systemtic Name: 2-chloranyl-N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide Openeye Name: 2-chloro-N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide CAS Name: 2-chloro-N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-N-[(1-methyl-4-pyridin-1-iumyl)methyl]benzamide IUPAC Name: 2-chloro-N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide Traditional Name: N-(4-cetyloxy-3-methoxy-benzyl)-2-chloro-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide Formula: C38H54ClN2O3+ MolecularWeight: 622.29996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)C)C(=O)C3=CC=CC=C3Cl)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)C)C(=O)C3=CC=CC=C3Cl)OC

InChI

InChI=1S/C38H54ClN2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-44-36-23-22-33(29-37(36)43-3)31-41(30-32-24-26-40(2)27-25-32)38(42)34-20-17-18-21-35(34)39/h17-18,20-27,29H,4-16,19,28,30-31H2,1-3H3/q+1