(3-methyl-2-nitro-phenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (3-methyl-2-nitro-phenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: (3-methyl-2-nitro-phenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: (3-methyl-2-nitrophenyl)-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (3-methyl-2-nitrophenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: (3-methyl-2-nitro-phenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3/c1-16-6-5-9-18(19(16)23(25)26)20(24)22-14-12-21(13-15-22)11-10-17-7-3-2-4-8-17/h2-9H,10-15H2,1H3/p+1