1-(4-methoxyphenyl)-4-[(3S)-1-propylsulfonylpiperidin-3-yl]piperazin-4-ium

Systemtic Name: 1-(4-methoxyphenyl)-4-[(3S)-1-propylsulfonylpiperidin-3-yl]piperazin-4-ium Openeye Name: 1-(4-methoxyphenyl)-4-[(3S)-1-propylsulfonyl-3-piperidyl]piperazin-4-ium CAS Name: 1-(4-methoxyphenyl)-4-[(3S)-1-propylsulfonyl-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-(4-methoxyphenyl)-4-[(3S)-1-propylsulfonylpiperidin-3-yl]piperazin-4-ium Traditional Name: 1-(4-methoxyphenyl)-4-[(3S)-1-propylsulfonyl-3-piperidyl]piperazin-4-ium Formula: C19H32N3O3S+ MolecularWeight: 382.54068

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCC(C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCS(=O)(=O)N1CCC[C@@H](C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H31N3O3S/c1-3-15-26(23,24)22-10-4-5-18(16-22)21-13-11-20(12-14-21)17-6-8-19(25-2)9-7-17/h6-9,18H,3-5,10-16H2,1-2H3/p+1/t18-/m0/s1