[2-(4-butoxyphenyl)ethanoylamino] sulfate; pyridin-1-ium

Systemtic Name: [2-(4-butoxyphenyl)ethanoylamino] sulfate; pyridin-1-ium Openeye Name: [[2-(4-butoxyphenyl)acetyl]amino] sulfate; pyridin-1-ium CAS Name: [[2-(4-butoxyphenyl)-1-oxoethyl]amino] sulfate; pyridin-1-ium IUPAC Name: [[2-(4-butoxyphenyl)acetyl]amino] sulfate; pyridin-1-ium Traditional Name: [[2-(4-butoxyphenyl)acetyl]amino] sulfate; pyridin-1-ium Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC(=O)NOS(=O)(=O)[O-].C1=CC=[NH+]C=C1

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC(=O)NOS(=O)(=O)[O-].C1=CC=[NH+]C=C1

InChI

InChI=1S/C12H17NO6S.C5H5N/c1-2-3-8-18-11-6-4-10(5-7-11)9-12(14)13-19-20(15,16)17;1-2-4-6-5-3-1/h4-7H,2-3,8-9H2,1H3,(H,13,14)(H,15,16,17);1-5H