N-(1,3-benzodioxol-5-yl)-4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-cinnamyl-piperazin-4-ium-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(3-phenylprop-2-enyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-cinnamyl-piperazin-4-ium-1-carboxamide Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O3/c25-21(22-18-8-9-19-20(15-18)27-16-26-19)24-13-11-23(12-14-24)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2,(H,22,25)/p+1