1-(aminomethyl)-6-butyl-3-ethanoyl-1-(phenylmethyl)pyridin-1-ium-2-one

Systemtic Name: 1-(aminomethyl)-6-butyl-3-ethanoyl-1-(phenylmethyl)pyridin-1-ium-2-one Openeye Name: 3-acetyl-1-(aminomethyl)-1-benzyl-6-butyl-pyridin-1-ium-2-one CAS Name: 3-acetyl-1-(aminomethyl)-6-butyl-1-(phenylmethyl)-2-pyridin-1-iumone IUPAC Name: 3-acetyl-1-(aminomethyl)-1-benzyl-6-butylpyridin-1-ium-2-one Traditional Name: 3-acetyl-1-(aminomethyl)-1-benzyl-6-butyl-pyridin-1-ium-2-one Formula: C19H25N2O2+ MolecularWeight: 313.414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C(=O)[N+]1(CC2=CC=CC=C2)CN)C(=O)C

Isomeric SMILES

CCCCC1=CC=C(C(=O)[N+]1(CC2=CC=CC=C2)CN)C(=O)C

InChI

InChI=1S/C19H25N2O2/c1-3-4-10-17-11-12-18(15(2)22)19(23)21(17,14-20)13-16-8-6-5-7-9-16/h5-9,11-12H,3-4,10,13-14,20H2,1-2H3/q+1