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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-propoxyphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-propoxyphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(4-propoxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-propoxyphenyl)methanone Traditional Name: (4-piperonylpiperazin-4-ium-1-yl)-(4-propoxyphenyl)methanone Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O4/c1-2-13-26-19-6-4-18(5-7-19)22(25)24-11-9-23(10-12-24)15-17-3-8-20-21(14-17)28-16-27-20/h3-8,14H,2,9-13,15-16H2,1H3/p+1