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

Systemtic Name: 1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-4-propyl-piperazin-4-ium Openeye Name: 1-[2-nitro-4-(1-piperidylsulfonyl)phenyl]-4-propyl-piperazin-4-ium CAS Name: 1-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-4-propylpiperazin-4-ium IUPAC Name: 1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-4-propylpiperazin-4-ium Traditional Name: 1-(2-nitro-4-piperidinosulfonyl-phenyl)-4-propyl-piperazin-4-ium Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O4S/c1-2-8-19-11-13-20(14-12-19)17-7-6-16(15-18(17)22(23)24)27(25,26)21-9-4-3-5-10-21/h6-7,15H,2-5,8-14H2,1H3/p+1