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2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-ium-1-yl]ethanol

2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-ium-1-yl]ethanol

Systemtic Name:2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-ium-1-yl]ethanol
Openeye Name:2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-ium-1-yl]ethanol
CAS Name:2-[4-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-1-piperazin-1-iumyl]ethanol
IUPAC Name:2-[4-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperazin-1-ium-1-yl]ethanol
Traditional Name:2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-ium-1-yl]ethanol
Formula: C18H29N4O5S+
MolecularWeight: 413.51166
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CCO)[N+](=O)[O-]


Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CCO)[N+](=O)[O-]


InChI

InChI=1S/C18H28N4O5S/c23-14-13-19-9-11-20(12-10-19)17-6-5-16(15-18(17)22(24)25)28(26,27)21-7-3-1-2-4-8-21/h5-6,15,23H,1-4,7-14H2/p+1


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