N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-2-methyl-3-nitro-benzamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-2-methyl-3-nitro-benzamide Formula: C23H33N5O3+2 MolecularWeight: 427.53982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC(C2=CC=C(C=C2)N(C)C)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC[C@H](C2=CC=C(C=C2)N(C)C)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C23H31N5O3/c1-17-20(6-5-7-21(17)28(30)31)23(29)24-16-22(27-14-12-26(4)13-15-27)18-8-10-19(11-9-18)25(2)3/h5-11,22H,12-16H2,1-4H3,(H,24,29)/p+2/t22-/m1/s1