3-[[(2R)-1-oxidanylbutan-2-yl]amino]benzo[b][1,6]naphthyridin-2-ium-4-carbonitrile

Systemtic Name: 3-[[(2R)-1-oxidanylbutan-2-yl]amino]benzo[b][1,6]naphthyridin-2-ium-4-carbonitrile Openeye Name: 3-[[(1R)-1-(hydroxymethyl)propyl]amino]benzo[b][1,6]naphthyridin-2-ium-4-carbonitrile CAS Name: 3-[[(2R)-1-hydroxybutan-2-yl]amino]-4-benzo[b][1,6]naphthyridin-2-iumcarbonitrile IUPAC Name: 3-[[(2R)-1-hydroxybutan-2-yl]amino]benzo[b][1,6]naphthyridin-2-ium-4-carbonitrile Traditional Name: 3-[[(1R)-1-methylolpropyl]amino]benzo[b][1,6]naphthyridin-2-ium-4-carbonitrile Formula: C17H17N4O+ MolecularWeight: 293.34308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=C(C2=NC3=CC=CC=C3C=C2C=[NH+]1)C#N

Isomeric SMILES

CC[C@H](CO)NC1=C(C2=NC3=CC=CC=C3C=C2C=[NH+]1)C#N

InChI

InChI=1S/C17H16N4O/c1-2-13(10-22)20-17-14(8-18)16-12(9-19-17)7-11-5-3-4-6-15(11)21-16/h3-7,9,13,22H,2,10H2,1H3,(H,19,20)/p+1/t13-/m1/s1