1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperazin-4-ium-1-yl-propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperazin-4-ium-1-yl-propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperazin-4-ium-1-yl-propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperazin-4-ium-1-ylpropan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperazin-4-ium-1-yl-propan-1-one Formula: C16H24N3O+ MolecularWeight: 274.38126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCN3CC[NH2+]CC3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCN3CC[NH2+]CC3

InChI

InChI=1S/C16H23N3O/c20-16(6-9-18-11-7-17-8-12-18)19-10-5-14-3-1-2-4-15(14)13-19/h1-4,17H,5-13H2/p+1