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

Systemtic Name: N-[1-(phenylmethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl]heptanamide Openeye Name: N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)heptanamide CAS Name: N-[1-(phenylmethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl]heptanamide IUPAC Name: N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)heptanamide Traditional Name: N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)enanthamide Formula: C25H30N3O+ MolecularWeight: 388.5252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O/c1-2-3-4-8-15-23(29)27-24-20-13-9-10-14-22(20)26-25-21(24)16-17-28(25)18-19-11-6-5-7-12-19/h5-7,9-14H,2-4,8,15-18H2,1H3,(H,26,27,29)/p+1