2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-cycloheptyl-ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-cycloheptyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-cycloheptyl-acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-cycloheptylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-cycloheptylacetamide Traditional Name: N-cycloheptyl-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCC(CC1)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H31N3O3/c25-21(22-18-5-3-1-2-4-6-18)15-24-11-9-23(10-12-24)14-17-7-8-19-20(13-17)27-16-26-19/h7-8,13,18H,1-6,9-12,14-16H2,(H,22,25)/p+1