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

Systemtic Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-N-[(3-nitrophenyl)methyl]aniline Openeye Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-N-[(3-nitrophenyl)methyl]aniline CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)methyl]-N-[(3-nitrophenyl)methyl]aniline IUPAC Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-N-[(3-nitrophenyl)methyl]aniline Traditional Name: [4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]-(3-nitrobenzyl)amine Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC=C(C=C2)NCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC=C(C=C2)NCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O2/c1-2-22-10-12-23(13-11-22)16-17-6-8-19(9-7-17)21-15-18-4-3-5-20(14-18)24(25)26/h3-9,14,21H,2,10-13,15-16H2,1H3/p+1