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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4

InChI

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