1-(azepan-1-yl)-2-[4-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-1-yl]ethanone Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3O)OCO4

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C20H29N3O4/c24-17-12-19-18(26-15-27-19)11-16(17)13-21-7-9-22(10-8-21)14-20(25)23-5-3-1-2-4-6-23/h11-12,24H,1-10,13-15H2/p+1