N-[1-(phenylmethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl]decanamide

Systemtic Name: N-[1-(phenylmethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl]decanamide Openeye Name: N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)decanamide CAS Name: N-[1-(phenylmethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl]decanamide IUPAC Name: N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)decanamide Traditional Name: N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)capramide Formula: C28H36N3O+ MolecularWeight: 430.60494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC1=C2CCN(C2=[NH+]C3=CC=CC=C31)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCC(=O)NC1=C2CCN(C2=[NH+]C3=CC=CC=C31)CC4=CC=CC=C4

InChI

InChI=1S/C28H35N3O/c1-2-3-4-5-6-7-11-18-26(32)30-27-23-16-12-13-17-25(23)29-28-24(27)19-20-31(28)21-22-14-9-8-10-15-22/h8-10,12-17H,2-7,11,18-21H2,1H3,(H,29,30,32)/p+1