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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)N3CC[NH2+]CC3

Isomeric SMILES

C[C@@H](C(=O)N1CCC2=CC=CC=C2C1)N3CC[NH2+]CC3

InChI

InChI=1S/C16H23N3O/c1-13(18-10-7-17-8-11-18)16(20)19-9-6-14-4-2-3-5-15(14)12-19/h2-5,13,17H,6-12H2,1H3/p+1/t13-/m0/s1