1,3-benzodioxol-5-yl-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-(4-benzylpiperazin-4-ium-1-yl)methanone CAS Name: 1,3-benzodioxol-5-yl-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-(4-benzylpiperazin-4-ium-1-yl)methanone Traditional Name: 1,3-benzodioxol-5-yl-(4-benzylpiperazin-4-ium-1-yl)methanone Formula: C19H21N2O3+ MolecularWeight: 325.38164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H20N2O3/c22-19(16-6-7-17-18(12-16)24-14-23-17)21-10-8-20(9-11-21)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2/p+1