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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-naphthylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-naphthalenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-naphthylmethyl)piperazin-4-ium-1-carboxamide Formula: C24H26N3O3+ MolecularWeight: 404.48154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H25N3O3/c28-24(25-20-8-9-22-23(16-20)30-15-14-29-22)27-12-10-26(11-13-27)17-19-6-3-5-18-4-1-2-7-21(18)19/h1-9,16H,10-15,17H2,(H,25,28)/p+1