2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C24H32N4O3+2 MolecularWeight: 424.53588

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C24H30N4O3/c29-24(27-13-11-26(12-14-27)23-6-1-2-9-25-23)18-28-10-3-5-20(28)19-7-8-21-22(17-19)31-16-4-15-30-21/h1-2,6-9,17,20H,3-5,10-16,18H2/p+2/t20-/m1/s1