1-[4-[(4-cyclobutyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[(4-cyclobutyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(4-cyclobutyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(4-cyclobutyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(4-cyclobutyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[(4-cyclobutyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl)methyl]piperazin-4-ium-1-yl]ethanone Formula: C20H31N3O2+2 MolecularWeight: 345.47904

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC[NH+](C3)C4CCC4

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC[NH+](C3)C4CCC4

InChI

InChI=1S/C20H29N3O2/c1-16(24)22-9-7-21(8-10-22)14-17-5-6-20-18(13-17)15-23(11-12-25-20)19-3-2-4-19/h5-6,13,19H,2-4,7-12,14-15H2,1H3/p+2