3-nitro-N-[(2R)-1-[4-(phenylmethyl)piperazin-1-ium-1-yl]propan-2-yl]-N-pyridin-2-yl-benzamide

Systemtic Name: 3-nitro-N-[(2R)-1-[4-(phenylmethyl)piperazin-1-ium-1-yl]propan-2-yl]-N-pyridin-2-yl-benzamide Openeye Name: N-[(1R)-2-(4-benzylpiperazin-1-ium-1-yl)-1-methyl-ethyl]-3-nitro-N-(2-pyridyl)benzamide CAS Name: 3-nitro-N-[(2R)-1-[4-(phenylmethyl)-1-piperazin-1-iumyl]propan-2-yl]-N-(2-pyridinyl)benzamide IUPAC Name: N-[(2R)-1-(4-benzylpiperazin-1-ium-1-yl)propan-2-yl]-3-nitro-N-pyridin-2-ylbenzamide Traditional Name: N-[(1R)-2-(4-benzylpiperazin-1-ium-1-yl)-1-methyl-ethyl]-3-nitro-N-(2-pyridyl)benzamide Formula: C26H30N5O3+ MolecularWeight: 460.5481

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCN(CC1)CC2=CC=CC=C2)N(C3=CC=CC=N3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C[NH+]1CCN(CC1)CC2=CC=CC=C2)N(C3=CC=CC=N3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H29N5O3/c1-21(19-28-14-16-29(17-15-28)20-22-8-3-2-4-9-22)30(25-12-5-6-13-27-25)26(32)23-10-7-11-24(18-23)31(33)34/h2-13,18,21H,14-17,19-20H2,1H3/p+1/t21-/m1/s1