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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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