(2R)-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-ium-2-carboxamide

Systemtic Name: (2R)-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-ium-2-carboxamide Openeye Name: (2R)-4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazin-1-ium-2-carboxamide CAS Name: (2R)-4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-2-piperazin-1-iumcarboxamide IUPAC Name: (2R)-4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-ium-2-carboxamide Traditional Name: (2R)-4-(2-nitro-4-piperidinosulfonyl-phenyl)piperazin-1-ium-2-carboxamide Formula: C16H24N5O5S+ MolecularWeight: 398.45726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH2+]C(C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH2+][C@H](C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H23N5O5S/c17-16(22)13-11-19(9-6-18-13)14-5-4-12(10-15(14)21(23)24)27(25,26)20-7-2-1-3-8-20/h4-5,10,13,18H,1-3,6-9,11H2,(H2,17,22)/p+1/t13-/m1/s1