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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(cyclohexylmethyl)piperidin-1-ium-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(cyclohexylmethyl)piperidin-1-ium-4-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[1-(cyclohexylmethyl)-4-piperidin-1-iumyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(cyclohexylmethyl)piperidin-1-ium-4-yl]methanone Traditional Name: [1-(cyclohexylmethyl)piperidin-1-ium-4-yl]-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C25H39N3O3+2 MolecularWeight: 429.59546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H37N3O3/c29-25(22-8-10-26(11-9-22)17-20-4-2-1-3-5-20)28-14-12-27(13-15-28)18-21-6-7-23-24(16-21)31-19-30-23/h6-7,16,20,22H,1-5,8-15,17-19H2/p+2