N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenethyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenethyl-piperazin-4-ium-1-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenethyl-piperazin-4-ium-1-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenethyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenethylpiperazin-4-ium-1-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenethyl-piperazin-4-ium-1-carboxamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H25N3O3/c25-21(22-18-6-7-19-20(16-18)27-15-14-26-19)24-12-10-23(11-13-24)9-8-17-4-2-1-3-5-17/h1-7,16H,8-15H2,(H,22,25)/p+1