2-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]aniline

Systemtic Name: 2-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]aniline Openeye Name: 2-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]aniline CAS Name: 2-[2-[(3S)-3-methyl-1-piperidin-1-iumyl]ethyl]aniline IUPAC Name: 2-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]aniline Traditional Name: [2-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]phenyl]amine Formula: C14H23N2+ MolecularWeight: 219.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCC2=CC=CC=C2N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCC2=CC=CC=C2N

InChI

InChI=1S/C14H22N2/c1-12-5-4-9-16(11-12)10-8-13-6-2-3-7-14(13)15/h2-3,6-7,12H,4-5,8-11,15H2,1H3/p+1/t12-/m0/s1