1-(2-methyl-1H-indol-3-yl)-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)oxy-ethanone

Systemtic Name: 1-(2-methyl-1H-indol-3-yl)-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)oxy-ethanone Openeye Name: 1-(2-methyl-1H-indol-3-yl)-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)oxy-ethanone CAS Name: 1-(2-methyl-1H-indol-3-yl)-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)oxyethanone IUPAC Name: 1-(2-methyl-1H-indol-3-yl)-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)oxyethanone Traditional Name: 1-(2-methyl-1H-indol-3-yl)-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)oxy-ethanone Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)CONC3=[NH+]CCCCC3

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)CONC3=[NH+]CCCCC3

InChI

InChI=1S/C17H21N3O2/c1-12-17(13-7-4-5-8-14(13)19-12)15(21)11-22-20-16-9-3-2-6-10-18-16/h4-5,7-8,19H,2-3,6,9-11H2,1H3,(H,18,20)/p+1