[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[4-(propan-2-yloxymethyl)phenyl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[4-(propan-2-yloxymethyl)phenyl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[4-(isopropoxymethyl)phenyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[4-(propan-2-yloxymethyl)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[4-(propan-2-yloxymethyl)phenyl]methanone Traditional Name: [4-(isopropoxymethyl)phenyl]-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)OCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H28N2O4/c1-17(2)27-15-18-3-6-20(7-4-18)23(26)25-11-9-24(10-12-25)14-19-5-8-21-22(13-19)29-16-28-21/h3-8,13,17H,9-12,14-16H2,1-2H3/p+1