4-[6-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]pyridin-3-yl]sulfonylmorpholine

Systemtic Name: 4-[6-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]pyridin-3-yl]sulfonylmorpholine Openeye Name: 4-[[6-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]-3-pyridyl]sulfonyl]morpholine CAS Name: 4-[[6-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]-3-pyridinyl]sulfonyl]morpholine IUPAC Name: 4-[6-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]pyridin-3-yl]sulfonylmorpholine Traditional Name: 4-[[6-[4-(3-thenyl)piperazin-4-ium-1-yl]-3-pyridyl]sulfonyl]morpholine Formula: C18H25N4O3S2+ MolecularWeight: 409.5461

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C18H24N4O3S2/c23-27(24,22-8-10-25-11-9-22)17-1-2-18(19-13-17)21-6-4-20(5-7-21)14-16-3-12-26-15-16/h1-3,12-13,15H,4-11,14H2/p+1