N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3,4-diheptoxy-benzamide

Systemtic Name: N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3,4-diheptoxy-benzamide Openeye Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3,4-diheptoxy-benzamide CAS Name: N-acetyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-3,4-diheptoxybenzamide IUPAC Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3,4-diheptoxybenzamide Traditional Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3,4-diheptoxy-benzamide Formula: C31H47N2O4+ MolecularWeight: 511.71588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C)OCCCCCCC

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C)OCCCCCCC

InChI

InChI=1S/C31H47N2O4/c1-5-8-10-12-16-22-36-29-20-19-27(24-30(29)37-23-17-13-11-9-6-2)31(35)33(26(4)34)25-28-18-14-15-21-32(28)7-3/h14-15,18-21,24H,5-13,16-17,22-23,25H2,1-4H3/q+1