3-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)propanamide

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)propanamide Openeye Name: 3-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)propanamide CAS Name: 3-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazin-1-iumyl]-N-[(cyclopentylamino)-oxomethyl]propanamide IUPAC Name: 3-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)propanamide Traditional Name: N-(cyclopentylcarbamoyl)-3-(4-piperonyloylpiperazin-1-ium-1-yl)propionamide Formula: C21H29N4O5+ MolecularWeight: 417.47876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)NC(=O)CC[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(C1)NC(=O)NC(=O)CC[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H28N4O5/c26-19(23-21(28)22-16-3-1-2-4-16)7-8-24-9-11-25(12-10-24)20(27)15-5-6-17-18(13-15)30-14-29-17/h5-6,13,16H,1-4,7-12,14H2,(H2,22,23,26,28)/p+1