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3-[2-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethylsulfonyl]propanamide

3-[2-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethylsulfonyl]propanamide

Systemtic Name:3-[2-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethylsulfonyl]propanamide
Openeye Name:3-[2-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethylsulfonyl]propanamide
CAS Name:3-[2-[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]ethylsulfonyl]propanamide
IUPAC Name:3-[2-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethylsulfonyl]propanamide
Traditional Name:3-[2-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethylsulfonyl]propionamide
Formula: C18H26N3O3S2+
MolecularWeight: 396.54734
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)CCS(=O)(=O)CCC(=O)N


Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)CCS(=O)(=O)CCC(=O)N


InChI

InChI=1S/C18H25N3O3S2/c19-18(22)5-11-26(23,24)12-10-20-6-8-21(9-7-20)13-15-14-25-17-4-2-1-3-16(15)17/h1-4,14H,5-13H2,(H2,19,22)/p+1


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