N-[(2-ethyl-9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-yl)methyl]propan-2-amine

Systemtic Name: N-[(2-ethyl-9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-yl)methyl]propan-2-amine Openeye Name: N-[(2-ethyl-9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-yl)methyl]propan-2-amine CAS Name: N-[(2-ethyl-9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-yl)methyl]-2-propanamine IUPAC Name: N-[(2-ethyl-9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-yl)methyl]propan-2-amine Traditional Name: (2-ethyl-9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-yl)methyl-isopropyl-amine Formula: C18H25N2O+ MolecularWeight: 285.4039

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC=C3C=CC[N+]3(C2)CNC(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)OC=C3C=CC[N+]3(C2)CNC(C)C

InChI

InChI=1S/C18H25N2O/c1-4-15-7-8-18-16(10-15)11-20(13-19-14(2)3)9-5-6-17(20)12-21-18/h5-8,10,12,14,19H,4,9,11,13H2,1-3H3/q+1