2-methyl-1-(7-piperazin-4-ium-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: 2-methyl-1-(7-piperazin-4-ium-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 2-methyl-1-(7-piperazin-4-ium-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 2-methyl-1-[7-(1-piperazin-4-iumyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-propanone IUPAC Name: 2-methyl-1-(7-piperazin-4-ium-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 2-methyl-1-(7-piperazin-4-ium-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)N3CC[NH2+]CC3

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C17H25N3O/c1-13(2)17(21)20-8-5-14-3-4-16(11-15(14)12-20)19-9-6-18-7-10-19/h3-4,11,13,18H,5-10,12H2,1-2H3/p+1