4-(1,3-benzodioxol-5-ylmethyl)-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3,4-dichlorophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(3,4-dichlorophenyl)-4-piperonyl-piperazin-4-ium-1-carboxamide Formula: C19H20Cl2N3O3+ MolecularWeight: 409.2864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C19H19Cl2N3O3/c20-15-3-2-14(10-16(15)21)22-19(25)24-7-5-23(6-8-24)11-13-1-4-17-18(9-13)27-12-26-17/h1-4,9-10H,5-8,11-12H2,(H,22,25)/p+1