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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-propylphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-propylphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(4-propylphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-propylphenyl)methanone Traditional Name: (4-piperonylpiperazin-4-ium-1-yl)-(4-propylphenyl)methanone Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O3/c1-2-3-17-4-7-19(8-5-17)22(25)24-12-10-23(11-13-24)15-18-6-9-20-21(14-18)27-16-26-20/h4-9,14H,2-3,10-13,15-16H2,1H3/p+1