3,4-dihydro-1H-isoquinolin-2-yl-[2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazol-4-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazol-4-yl]methanone Openeye Name: [2-[(4-benzylpiperazin-1-ium-1-yl)methyl]oxazol-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-4-oxazolyl]methanone IUPAC Name: [2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-1,3-oxazol-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [2-[(4-benzylpiperazin-1-ium-1-yl)methyl]oxazol-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=COC(=N3)C[NH+]4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=COC(=N3)C[NH+]4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H28N4O2/c30-25(29-11-10-21-8-4-5-9-22(21)17-29)23-19-31-24(26-23)18-28-14-12-27(13-15-28)16-20-6-2-1-3-7-20/h1-9,19H,10-18H2/p+1