N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-[(3S)-3-methylpiperidino]-3-nitro-benzamide Formula: C26H36N5O3+ MolecularWeight: 466.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC(C4)C)[N+](=O)[O-])C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCC[C@@H](C4)C)[N+](=O)[O-])C

InChI

InChI=1S/C26H35N5O3/c1-4-28-12-14-29(15-13-28)22-8-9-23(20(3)16-22)27-26(32)21-7-10-24(25(17-21)31(33)34)30-11-5-6-19(2)18-30/h7-10,16-17,19H,4-6,11-15,18H2,1-3H3,(H,27,32)/p+1/t19-/m0/s1