N-(1,3-benzodioxol-5-yl)-4-(phenylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-benzyl-piperazin-4-ium-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-benzylpiperazin-4-ium-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-benzyl-piperazin-4-ium-1-carboxamide Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3/c23-19(20-16-6-7-17-18(12-16)25-14-24-17)22-10-8-21(9-11-22)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,20,23)/p+1