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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone Traditional Name: [1-(3-phenylpropyl)piperidin-1-ium-4-yl]-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C27H37N3O3+2 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)CCCC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)CCCC5=CC=CC=C5

InChI

InChI=1S/C27H35N3O3/c31-27(24-10-13-28(14-11-24)12-4-7-22-5-2-1-3-6-22)30-17-15-29(16-18-30)20-23-8-9-25-26(19-23)33-21-32-25/h1-3,5-6,8-9,19,24H,4,7,10-18,20-21H2/p+2