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

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,4-dimethylbenzyl)-N-methyl-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]acetamide Formula: C25H30N5O3+ MolecularWeight: 448.5374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O3/c1-18-4-5-20(19(2)14-18)16-27(3)25(31)17-28-10-12-29(13-11-28)23-6-7-24(30(32)33)22-15-26-9-8-21(22)23/h4-9,14-15H,10-13,16-17H2,1-3H3/p+1