1-(3-chlorophenyl)-4-[[(3S)-piperidin-1-ium-3-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(3-chlorophenyl)-4-[[(3S)-piperidin-1-ium-3-yl]methyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-[[(3S)-piperidin-1-ium-3-yl]methyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-[[(3S)-3-piperidin-1-iumyl]methyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-[[(3S)-piperidin-1-ium-3-yl]methyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-[[(3S)-piperidin-1-ium-3-yl]methyl]piperazin-4-ium Formula: C16H26ClN3+2 MolecularWeight: 295.85074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H24ClN3/c17-15-4-1-5-16(11-15)20-9-7-19(8-10-20)13-14-3-2-6-18-12-14/h1,4-5,11,14,18H,2-3,6-10,12-13H2/p+2/t14-/m0/s1