3-[(1S)-1-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethyl]aniline

Systemtic Name: 3-[(1S)-1-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethyl]aniline Openeye Name: 3-[(1S)-1-(4-benzylpiperidin-1-ium-1-yl)ethyl]aniline CAS Name: 3-[(1S)-1-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethyl]aniline IUPAC Name: 3-[(1S)-1-(4-benzylpiperidin-1-ium-1-yl)ethyl]aniline Traditional Name: [3-[(1S)-1-(4-benzylpiperidin-1-ium-1-yl)ethyl]phenyl]amine Formula: C20H27N2+ MolecularWeight: 295.44178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)N)[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)N)[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N2/c1-16(19-8-5-9-20(21)15-19)22-12-10-18(11-13-22)14-17-6-3-2-4-7-17/h2-9,15-16,18H,10-14,21H2,1H3/p+1/t16-/m0/s1