2,3-dihydro-1,4-benzodioxin-6-yl-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanone Formula: C24H25N2O3+ MolecularWeight: 389.4669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O3/c27-24(19-8-9-22-23(16-19)29-15-14-28-22)26-12-10-25(11-13-26)17-20-6-3-5-18-4-1-2-7-21(18)20/h1-9,16H,10-15,17H2/p+1