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

Systemtic Name: 2,2-dimethyl-1-(7-piperazin-4-ium-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 2,2-dimethyl-1-(7-piperazin-4-ium-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 2,2-dimethyl-1-[7-(1-piperazin-4-iumyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-propanone IUPAC Name: 2,2-dimethyl-1-(7-piperazin-4-ium-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 2,2-dimethyl-1-(7-piperazin-4-ium-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O/c1-18(2,3)17(22)21-9-6-14-4-5-16(12-15(14)13-21)20-10-7-19-8-11-20/h4-5,12,19H,6-11,13H2,1-3H3/p+1