[1-(phenylmethyl)piperidin-1-ium-4-yl]-[(2S)-2-phenylpropyl]azanium

Systemtic Name: [1-(phenylmethyl)piperidin-1-ium-4-yl]-[(2S)-2-phenylpropyl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(2S)-2-phenylpropyl]ammonium CAS Name: [1-(phenylmethyl)-4-piperidin-1-iumyl]-[(2S)-2-phenylpropyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(2S)-2-phenylpropyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(2S)-2-phenylpropyl]ammonium Formula: C21H30N2+2 MolecularWeight: 310.4763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH2+]C1CC[NH+](CC1)CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C[NH2+]C1CC[NH+](CC1)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H28N2/c1-18(20-10-6-3-7-11-20)16-22-21-12-14-23(15-13-21)17-19-8-4-2-5-9-19/h2-11,18,21-22H,12-17H2,1H3/p+2/t18-/m1/s1