1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazin-1-ium

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazin-1-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-(1-naphthylmethyl)piperazin-1-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(1-naphthalenylmethyl)piperazin-1-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazin-1-ium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-(1-naphthylmethyl)piperazin-1-ium Formula: C23H26BrN2O+ MolecularWeight: 426.36934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)CC3=CC=CC4=CC=CC=C43)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)CC3=CC=CC4=CC=CC=C43)Br

InChI

InChI=1S/C23H25BrN2O/c1-27-23-10-9-18(15-22(23)24)16-25-11-13-26(14-12-25)17-20-7-4-6-19-5-2-3-8-21(19)20/h2-10,15H,11-14,16-17H2,1H3/p+1