[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]methyl-propan-2-yl-azanium

Systemtic Name: [4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]methyl-propan-2-yl-azanium Openeye Name: isopropyl-[[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]methyl]ammonium CAS Name: [4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]methyl-propan-2-ylammonium IUPAC Name: [4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]methyl-propan-2-ylazanium Traditional Name: isopropyl-[4-[(3S)-3-methylpiperidino]sulfonylbenzyl]ammonium Formula: C16H27N2O2S+ MolecularWeight: 311.46278

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C[NH2+]C(C)C

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C[NH2+]C(C)C

InChI

InChI=1S/C16H26N2O2S/c1-13(2)17-11-15-6-8-16(9-7-15)21(19,20)18-10-4-5-14(3)12-18/h6-9,13-14,17H,4-5,10-12H2,1-3H3/p+1/t14-/m0/s1