N-[(4-bromophenyl)methyl]-N-methyl-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(4-bromophenyl)methyl]-N-methyl-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(4-bromophenyl)methyl]-N-methyl-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(4-bromophenyl)methyl]-N-methyl-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(4-bromophenyl)methyl]-N-methyl-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromobenzyl)-N-methyl-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]acetamide Formula: C23H25BrN5O3+ MolecularWeight: 499.3803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Br)C(=O)C[NH+]2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)Br)C(=O)C[NH+]2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H24BrN5O3/c1-26(15-17-2-4-18(24)5-3-17)23(30)16-27-10-12-28(13-11-27)21-6-7-22(29(31)32)20-14-25-9-8-19(20)21/h2-9,14H,10-13,15-16H2,1H3/p+1