N-cycloheptyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-cycloheptyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-cycloheptyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-cycloheptyl-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-cycloheptyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-cycloheptyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C19H29N4O3+ MolecularWeight: 361.45856

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O3/c1-21-10-12-22(13-11-21)17-9-8-15(14-18(17)23(25)26)19(24)20-16-6-4-2-3-5-7-16/h8-9,14,16H,2-7,10-13H2,1H3,(H,20,24)/p+1