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

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: 3-(azepan-1-ium-1-yl)propyl-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C19H31N4O5S+ MolecularWeight: 427.53824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O5S/c24-23(25)19-16-17(29(26,27)22-12-14-28-15-13-22)6-7-18(19)20-8-5-11-21-9-3-1-2-4-10-21/h6-7,16,20H,1-5,8-15H2/p+1