4-[2-(4-ethylpiperazin-4-ium-1-yl)ethyl]-N-[(3-nitrophenyl)methyl]aniline

Systemtic Name: 4-[2-(4-ethylpiperazin-4-ium-1-yl)ethyl]-N-[(3-nitrophenyl)methyl]aniline Openeye Name: 4-[2-(4-ethylpiperazin-4-ium-1-yl)ethyl]-N-[(3-nitrophenyl)methyl]aniline CAS Name: 4-[2-(4-ethyl-1-piperazin-4-iumyl)ethyl]-N-[(3-nitrophenyl)methyl]aniline IUPAC Name: 4-[2-(4-ethylpiperazin-4-ium-1-yl)ethyl]-N-[(3-nitrophenyl)methyl]aniline Traditional Name: [4-[2-(4-ethylpiperazin-4-ium-1-yl)ethyl]phenyl]-(3-nitrobenzyl)amine Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CCC2=CC=C(C=C2)NCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)CCC2=CC=C(C=C2)NCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O2/c1-2-23-12-14-24(15-13-23)11-10-18-6-8-20(9-7-18)22-17-19-4-3-5-21(16-19)25(26)27/h3-9,16,22H,2,10-15,17H2,1H3/p+1