4-(2-methoxyphenyl)-1-(2-nitrophenyl)-2-propyl-piperazin-1-ium-1-amine

Systemtic Name: 4-(2-methoxyphenyl)-1-(2-nitrophenyl)-2-propyl-piperazin-1-ium-1-amine Openeye Name: 4-(2-methoxyphenyl)-1-(2-nitrophenyl)-2-propyl-piperazin-1-ium-1-amine CAS Name: 4-(2-methoxyphenyl)-1-(2-nitrophenyl)-2-propyl-1-piperazin-1-iumamine IUPAC Name: 4-(2-methoxyphenyl)-1-(2-nitrophenyl)-2-propylpiperazin-1-ium-1-amine Traditional Name: [4-(2-methoxyphenyl)-1-(2-nitrophenyl)-2-propyl-piperazin-1-ium-1-yl]amine Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CN(CC[N+]1(C2=CC=CC=C2[N+](=O)[O-])N)C3=CC=CC=C3OC

Isomeric SMILES

CCCC1CN(CC[N+]1(C2=CC=CC=C2[N+](=O)[O-])N)C3=CC=CC=C3OC

InChI

InChI=1S/C20H27N4O3/c1-3-8-16-15-22(18-10-5-7-12-20(18)27-2)13-14-24(16,21)19-11-6-4-9-17(19)23(25)26/h4-7,9-12,16H,3,8,13-15,21H2,1-2H3/q+1