2-chloranyl-5-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]aniline

Systemtic Name: 2-chloranyl-5-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]aniline Openeye Name: 2-chloro-5-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]aniline CAS Name: 2-chloro-5-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]aniline IUPAC Name: 2-chloro-5-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]aniline Traditional Name: [2-chloro-5-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]amine Formula: C14H22ClN2+ MolecularWeight: 253.79088

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CC(=C(C=C2)Cl)N)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC2=CC(=C(C=C2)Cl)N)C

InChI

InChI=1S/C14H21ClN2/c1-10-5-11(2)8-17(7-10)9-12-3-4-13(15)14(16)6-12/h3-4,6,10-11H,5,7-9,16H2,1-2H3/p+1/t10-,11-/m0/s1