3-chloranyl-7-methyl-5-oxidanidyl-5-(3-piperidin-1-ylpropyl)-4aH-indolo[3,2-b][1,5]benzoxazepin-5-ium

Systemtic Name: 3-chloranyl-7-methyl-5-oxidanidyl-5-(3-piperidin-1-ylpropyl)-4aH-indolo[3,2-b][1,5]benzoxazepin-5-ium Openeye Name: 3-chloro-7-methyl-5-oxido-5-[3-(1-piperidyl)propyl]-4aH-indolo[3,2-b][1,5]benzoxazepin-5-ium CAS Name: 3-chloro-7-methyl-5-oxido-5-[3-(1-piperidinyl)propyl]-4aH-indolo[3,2-b][1,5]benzoxazepin-5-ium IUPAC Name: 3-chloro-7-methyl-5-oxido-5-(3-piperidin-1-ylpropyl)-4aH-indolo[3,2-b][1,5]benzoxazepin-5-ium Traditional Name: 3-chloro-7-methyl-5-oxido-5-(3-piperidinopropyl)-4aH-indolo[3,2-b][1,5]benzoxazepin-5-ium Formula: C24H28ClN3O2 MolecularWeight: 425.95102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C2C(=C3C=CC(=CC3[N+]2(CCCN4CCCCC4)[O-])Cl)OC5=CC=CC=C51

Isomeric SMILES

CN1C=C2C(=C3C=CC(=CC3[N+]2(CCCN4CCCCC4)[O-])Cl)OC5=CC=CC=C51

InChI

InChI=1S/C24H28ClN3O2/c1-26-17-22-24(30-23-9-4-3-8-20(23)26)19-11-10-18(25)16-21(19)28(22,29)15-7-14-27-12-5-2-6-13-27/h3-4,8-11,16-17,21H,2,5-7,12-15H2,1H3