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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-cyanophenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-cyanophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-cyanophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-cyanophenyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(3-cyanophenyl)-4-piperonyl-piperazin-4-ium-1-carboxamide Formula: C20H21N4O3+ MolecularWeight: 365.40574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3/c21-12-15-2-1-3-17(10-15)22-20(25)24-8-6-23(7-9-24)13-16-4-5-18-19(11-16)27-14-26-18/h1-5,10-11H,6-9,13-14H2,(H,22,25)/p+1