2-(1,3-benzodioxol-5-yl)ethyl-[(4-methoxynaphthalen-1-yl)methyl]azanium

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-methoxynaphthalen-1-yl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-methoxy-1-naphthyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-methoxy-1-naphthalenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-methoxynaphthalen-1-yl)methyl]azanium Traditional Name: homopiperonyl-[(4-methoxy-1-naphthyl)methyl]ammonium Formula: C21H22NO3+ MolecularWeight: 336.40428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)C[NH2+]CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)C[NH2+]CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21NO3/c1-23-19-9-7-16(17-4-2-3-5-18(17)19)13-22-11-10-15-6-8-20-21(12-15)25-14-24-20/h2-9,12,22H,10-11,13-14H2,1H3/p+1