2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-(4-pyrrolidin-1-ylcarbonylpiperidin-1-yl)ethanone

Systemtic Name: 2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-(4-pyrrolidin-1-ylcarbonylpiperidin-1-yl)ethanone Openeye Name: 2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-[4-(pyrrolidine-1-carbonyl)-1-piperidyl]ethanone CAS Name: 2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidinyl]ethanone IUPAC Name: 2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone Traditional Name: 2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-[4-(pyrrolidine-1-carbonyl)piperidino]ethanone Formula: C23H34N3O4+ MolecularWeight: 416.53376

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=C(O1)C=C(C=C2)OC)CC(=O)N3CCC(CC3)C(=O)N4CCCC4

Isomeric SMILES

C[C@H]1C[NH+](CC2=C(O1)C=C(C=C2)OC)CC(=O)N3CCC(CC3)C(=O)N4CCCC4

InChI

InChI=1S/C23H33N3O4/c1-17-14-24(15-19-5-6-20(29-2)13-21(19)30-17)16-22(27)25-11-7-18(8-12-25)23(28)26-9-3-4-10-26/h5-6,13,17-18H,3-4,7-12,14-16H2,1-2H3/p+1/t17-/m0/s1