1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(naphthalen-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(naphthalen-2-ylmethyl)piperazin-4-ium Openeye Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-naphthylmethyl)piperazin-4-ium CAS Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-naphthalenylmethyl)piperazin-4-ium IUPAC Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(naphthalen-2-ylmethyl)piperazin-4-ium Traditional Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-naphthylmethyl)piperazin-4-ium Formula: C24H27N2O3+ MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)CN3CC[NH+](CC3)CC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)CN3CC[NH+](CC3)CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C24H26N2O3/c1-27-22-13-19(14-23-24(22)29-17-28-23)16-26-10-8-25(9-11-26)15-18-6-7-20-4-2-3-5-21(20)12-18/h2-7,12-14H,8-11,15-17H2,1H3/p+1