3-nitro-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]-4-piperidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]-4-piperidin-1-yl-benzamide Openeye Name: N-(4-benzylpiperazin-4-ium-1-yl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: 3-nitro-N-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-(1-piperidinyl)benzamide IUPAC Name: N-(4-benzylpiperazin-4-ium-1-yl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(4-benzylpiperazin-4-ium-1-yl)-3-nitro-4-piperidino-benzamide Formula: C23H30N5O3+ MolecularWeight: 424.516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NN3CC[NH+](CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NN3CC[NH+](CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O3/c29-23(24-27-15-13-25(14-16-27)18-19-7-3-1-4-8-19)20-9-10-21(22(17-20)28(30)31)26-11-5-2-6-12-26/h1,3-4,7-10,17H,2,5-6,11-16,18H2,(H,24,29)/p+1