N-[3-(azepan-1-ium-1-yl)propyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: 3-(azepan-1-ium-1-yl)propyl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O4S/c24-23(25)19-16-17(28(26,27)22-14-5-6-15-22)8-9-18(19)20-10-7-13-21-11-3-1-2-4-12-21/h8-9,16,20H,1-7,10-15H2/p+1