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

Systemtic Name: 1-(2-methoxyphenyl)-4-[(3S)-1-propan-2-ylsulfonylpiperidin-3-yl]piperazin-4-ium Openeye Name: 1-[(3S)-1-isopropylsulfonyl-3-piperidyl]-4-(2-methoxyphenyl)piperazin-1-ium CAS Name: 1-(2-methoxyphenyl)-4-[(3S)-1-propan-2-ylsulfonyl-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-(2-methoxyphenyl)-4-[(3S)-1-propan-2-ylsulfonylpiperidin-3-yl]piperazin-4-ium Traditional Name: 1-[(3S)-1-isopropylsulfonyl-3-piperidyl]-4-(2-methoxyphenyl)piperazin-1-ium Formula: C19H32N3O3S+ MolecularWeight: 382.54068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CCCC(C1)[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)S(=O)(=O)N1CCC[C@@H](C1)[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C19H31N3O3S/c1-16(2)26(23,24)22-10-6-7-17(15-22)20-11-13-21(14-12-20)18-8-4-5-9-19(18)25-3/h4-5,8-9,16-17H,6-7,10-15H2,1-3H3/p+1/t17-/m0/s1