4-[[(4-methylpyridin-2-yl)amino]methyl]-4-phenyl-piperidine-1-sulfonic acid

Systemtic Name: 4-[[(4-methylpyridin-2-yl)amino]methyl]-4-phenyl-piperidine-1-sulfonic acid Openeye Name: 4-[[(4-methyl-2-pyridyl)amino]methyl]-4-phenyl-piperidine-1-sulfonic acid CAS Name: 4-[[(4-methyl-2-pyridinyl)amino]methyl]-4-phenyl-1-piperidinesulfonic acid IUPAC Name: 4-[[(4-methylpyridin-2-yl)amino]methyl]-4-phenylpiperidine-1-sulfonic acid Traditional Name: 4-[[(4-methyl-2-pyridyl)amino]methyl]-4-phenyl-piperidine-1-sulfonic acid Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NCC2(CCN(CC2)S(=O)(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC=C1)NCC2(CCN(CC2)S(=O)(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H23N3O3S/c1-15-7-10-19-17(13-15)20-14-18(16-5-3-2-4-6-16)8-11-21(12-9-18)25(22,23)24/h2-7,10,13H,8-9,11-12,14H2,1H3,(H,19,20)(H,22,23,24)