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

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,4-dimethylbenzyl)-N-methyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-17-4-5-19(18(2)14-17)15-23(3)22(27)16-24-10-12-25(13-11-24)20-6-8-21(9-7-20)26(28)29/h4-9,14H,10-13,15-16H2,1-3H3/p+1