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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl(piperazin-4-ium-1-yl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl(piperazin-4-ium-1-yl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl(1-piperazin-4-iumyl)methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl(piperazin-4-ium-1-yl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl(piperazin-4-ium-1-yl)methanone Formula: C14H20N3O+ MolecularWeight: 246.3281

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C14H19N3O/c18-14(16-9-6-15-7-10-16)17-8-5-12-3-1-2-4-13(12)11-17/h1-4,15H,5-11H2/p+1