[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-pyrimidin-2-yl-4-piperidyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[1-(2-pyrimidinyl)-4-piperidinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone Traditional Name: (4-piperonylpiperazin-4-ium-1-yl)-[1-(2-pyrimidyl)-4-piperidyl]methanone Formula: C22H28N5O3+ MolecularWeight: 410.48942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C5=NC=CC=N5

InChI

InChI=1S/C22H27N5O3/c28-21(18-4-8-27(9-5-18)22-23-6-1-7-24-22)26-12-10-25(11-13-26)15-17-2-3-19-20(14-17)30-16-29-19/h1-3,6-7,14,18H,4-5,8-13,15-16H2/p+1