2-[[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]-5-nitro-benzonitrile CAS Name: 2-[[4-[(4-ethyl-1-piperazin-4-iumyl)methyl]phenyl]methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]-5-nitrobenzonitrile Traditional Name: 2-[[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzyl]amino]-5-nitro-benzonitrile Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC=C(C=C2)CNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC=C(C=C2)CNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H25N5O2/c1-2-24-9-11-25(12-10-24)16-18-5-3-17(4-6-18)15-23-21-8-7-20(26(27)28)13-19(21)14-22/h3-8,13,23H,2,9-12,15-16H2,1H3/p+1