6-[(5-bromanylthiophen-2-yl)-piperazin-1-yl-methyl]isoquinoline

Systemtic Name: 6-[(5-bromanylthiophen-2-yl)-piperazin-1-yl-methyl]isoquinoline Openeye Name: 6-[(5-bromo-2-thienyl)-piperazin-1-yl-methyl]isoquinoline CAS Name: 6-[(5-bromo-2-thiophenyl)-(1-piperazinyl)methyl]isoquinoline IUPAC Name: 6-[(5-bromothiophen-2-yl)-piperazin-1-ylmethyl]isoquinoline Traditional Name: 6-[(5-bromo-2-thienyl)-piperazino-methyl]isoquinoline Formula: C18H18BrN3S MolecularWeight: 388.32462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=C(S4)Br

Isomeric SMILES

C1CN(CCN1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=C(S4)Br

InChI

InChI=1S/C18H18BrN3S/c19-17-4-3-16(23-17)18(22-9-7-20-8-10-22)14-1-2-15-12-21-6-5-13(15)11-14/h1-6,11-12,18,20H,7-10H2