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

Systemtic Name: N-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-1-propyl-piperidin-1-ium-4-amine Openeye Name: N-[2-nitro-4-(1-piperidylsulfonyl)phenyl]-1-propyl-piperidin-1-ium-4-amine CAS Name: N-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1-propyl-4-piperidin-1-iumamine IUPAC Name: N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1-propylpiperidin-1-ium-4-amine Traditional Name: (2-nitro-4-piperidinosulfonyl-phenyl)-(1-propylpiperidin-1-ium-4-yl)amine Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O4S/c1-2-10-21-13-8-16(9-14-21)20-18-7-6-17(15-19(18)23(24)25)28(26,27)22-11-4-3-5-12-22/h6-7,15-16,20H,2-5,8-14H2,1H3/p+1