1-(2-methoxyphenyl)-4-[(3S)-1-thiophen-3-ylsulfonylpiperidin-3-yl]piperazin-4-ium

Systemtic Name: 1-(2-methoxyphenyl)-4-[(3S)-1-thiophen-3-ylsulfonylpiperidin-3-yl]piperazin-4-ium Openeye Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(3-thienylsulfonyl)-3-piperidyl]piperazin-4-ium CAS Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(3-thiophenylsulfonyl)-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-(2-methoxyphenyl)-4-[(3S)-1-thiophen-3-ylsulfonylpiperidin-3-yl]piperazin-4-ium Traditional Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(3-thienylsulfonyl)-3-piperidyl]piperazin-4-ium Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)S(=O)(=O)C4=CSC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)S(=O)(=O)C4=CSC=C4

InChI

InChI=1S/C20H27N3O3S2/c1-26-20-7-3-2-6-19(20)22-12-10-21(11-13-22)17-5-4-9-23(15-17)28(24,25)18-8-14-27-16-18/h2-3,6-8,14,16-17H,4-5,9-13,15H2,1H3/p+1/t17-/m0/s1