[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)azanium

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)azanium Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]-[2-methyl-5-(1-piperidylsulfonyl)phenyl]ammonium CAS Name: [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]ammonium IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-(2-methyl-5-piperidin-1-ylsulfonylphenyl)azanium Traditional Name: [2-keto-2-[(3S)-3-methylpiperidino]ethyl]-(2-methyl-5-piperidinosulfonyl-phenyl)ammonium Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C[NH2+]C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C[NH2+]C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C20H31N3O3S/c1-16-7-6-10-22(15-16)20(24)14-21-19-13-18(9-8-17(19)2)27(25,26)23-11-4-3-5-12-23/h8-9,13,16,21H,3-7,10-12,14-15H2,1-2H3/p+1/t16-/m0/s1