2-(3-methoxyphenyl)-1-[7-(pyrrolidin-1-ium-1-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone

Systemtic Name: 2-(3-methoxyphenyl)-1-[7-(pyrrolidin-1-ium-1-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Openeye Name: 2-(3-methoxyphenyl)-1-[7-(pyrrolidin-1-ium-1-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 2-(3-methoxyphenyl)-1-[7-(1-pyrrolidin-1-iumylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 2-(3-methoxyphenyl)-1-[7-(pyrrolidin-1-ium-1-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Traditional Name: 2-(3-methoxyphenyl)-1-[7-(pyrrolidin-1-ium-1-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)CC(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C23H28N2O3/c1-27-21-6-4-5-18(14-21)15-23(26)25-11-12-28-22-8-7-19(13-20(22)17-25)16-24-9-2-3-10-24/h4-8,13-14H,2-3,9-12,15-17H2,1H3/p+1