[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2-morpholin-4-yl-5-nitro-phenyl)methanone

Systemtic Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2-morpholin-4-yl-5-nitro-phenyl)methanone Openeye Name: (2-morpholino-5-nitro-phenyl)-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-[2-(4-morpholinyl)-5-nitrophenyl]methanone IUPAC Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone Traditional Name: [4-(3-methylbenzyl)piperazin-4-ium-1-yl]-(2-morpholino-5-nitro-phenyl)methanone Formula: C23H29N4O4+ MolecularWeight: 425.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C23H28N4O4/c1-18-3-2-4-19(15-18)17-24-7-9-26(10-8-24)23(28)21-16-20(27(29)30)5-6-22(21)25-11-13-31-14-12-25/h2-6,15-16H,7-14,17H2,1H3/p+1