N-[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]-3-methyl-4-nitro-benzamide CAS Name: N-[4-[(4-ethyl-1-piperazin-4-iumyl)methyl]phenyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]-3-methyl-4-nitro-benzamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-3-23-10-12-24(13-11-23)15-17-4-7-19(8-5-17)22-21(26)18-6-9-20(25(27)28)16(2)14-18/h4-9,14H,3,10-13,15H2,1-2H3,(H,22,26)/p+1