3-tert-butyl-4-decoxy-N-ethanoyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide

Systemtic Name: 3-tert-butyl-4-decoxy-N-ethanoyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide Openeye Name: N-acetyl-3-tert-butyl-4-decoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide CAS Name: N-acetyl-3-tert-butyl-4-decoxy-N-[(1-methyl-2-pyridin-1-iumyl)methyl]benzamide IUPAC Name: N-acetyl-3-tert-butyl-4-decoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide Traditional Name: N-acetyl-3-tert-butyl-4-decoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide Formula: C30H45N2O3+ MolecularWeight: 481.6899

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2C)C(=O)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2C)C(=O)C)C(C)(C)C

InChI

InChI=1S/C30H45N2O3/c1-7-8-9-10-11-12-13-16-21-35-28-19-18-25(22-27(28)30(3,4)5)29(34)32(24(2)33)23-26-17-14-15-20-31(26)6/h14-15,17-20,22H,7-13,16,21,23H2,1-6H3/q+1