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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-cyclohexyl-methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-cyclohexyl-methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-cyclohexylmethanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-cyclohexylmethanone Traditional Name: cyclohexyl-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C19H27N2O3+ MolecularWeight: 331.42928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H26N2O3/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/h6-7,12,16H,1-5,8-11,13-14H2/p+1