2,3-dihydro-1,4-benzodioxin-6-yl-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone Formula: C20H23N2O3+ MolecularWeight: 339.40822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H22N2O3/c23-20(17-6-7-18-19(14-17)25-13-12-24-18)22-10-8-21(9-11-22)15-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2/p+1