[6-methyl-1-oxidanidyl-4-(3-phenylmethoxypropyl)pyridin-1-ium-2-yl]methyl ethanoate

Systemtic Name: [6-methyl-1-oxidanidyl-4-(3-phenylmethoxypropyl)pyridin-1-ium-2-yl]methyl ethanoate Openeye Name: [4-(3-benzyloxypropyl)-6-methyl-1-oxido-pyridin-1-ium-2-yl]methyl acetate CAS Name: acetic acid [6-methyl-1-oxido-4-(3-phenylmethoxypropyl)-2-pyridin-1-iumyl]methyl ester IUPAC Name: [6-methyl-1-oxido-4-(3-phenylmethoxypropyl)pyridin-1-ium-2-yl]methyl acetate Traditional Name: acetic acid [4-(3-benzoxypropyl)-6-methyl-1-oxido-pyridin-1-ium-2-yl]methyl ester Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CC(=C1)CCCOCC2=CC=CC=C2)COC(=O)C)[O-]

Isomeric SMILES

CC1=[N+](C(=CC(=C1)CCCOCC2=CC=CC=C2)COC(=O)C)[O-]

InChI

InChI=1S/C19H23NO4/c1-15-11-18(12-19(20(15)22)14-24-16(2)21)9-6-10-23-13-17-7-4-3-5-8-17/h3-5,7-8,11-12H,6,9-10,13-14H2,1-2H3