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

Systemtic Name: 2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]-N-(phenylmethyl)-N-propan-2-yl-ethanamide Openeye Name: N-benzyl-N-isopropyl-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(8-nitro-5-isoquinolinyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)-N-propan-2-ylacetamide IUPAC Name: N-benzyl-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: N-benzyl-N-isopropyl-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]acetamide Formula: C25H30N5O3+ MolecularWeight: 448.5374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O3/c1-19(2)29(17-20-6-4-3-5-7-20)25(31)18-27-12-14-28(15-13-27)23-8-9-24(30(32)33)22-16-26-11-10-21(22)23/h3-11,16,19H,12-15,17-18H2,1-2H3/p+1