1-[1-[8-methyl-3-[[[(2S)-2-phenylpropyl]amino]methyl]quinolin-1-ium-2-yl]piperidin-4-yl]piperidin-1-ium-4-ol

Systemtic Name: 1-[1-[8-methyl-3-[[[(2S)-2-phenylpropyl]amino]methyl]quinolin-1-ium-2-yl]piperidin-4-yl]piperidin-1-ium-4-ol Openeye Name: 1-[1-[8-methyl-3-[[[(2S)-2-phenylpropyl]amino]methyl]quinolin-1-ium-2-yl]-4-piperidyl]piperidin-1-ium-4-ol CAS Name: 1-[1-[8-methyl-3-[[[(2S)-2-phenylpropyl]amino]methyl]-2-quinolin-1-iumyl]-4-piperidinyl]-4-piperidin-1-iumol IUPAC Name: 1-[1-[8-methyl-3-[[[(2S)-2-phenylpropyl]amino]methyl]quinolin-1-ium-2-yl]piperidin-4-yl]piperidin-1-ium-4-ol Traditional Name: 1-[1-[8-methyl-3-[[[(2S)-2-phenylpropyl]amino]methyl]quinolin-1-ium-2-yl]-4-piperidyl]piperidin-1-ium-4-ol Formula: C30H42N4O+2 MolecularWeight: 474.68068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C([NH+]=C12)N3CCC(CC3)[NH+]4CCC(CC4)O)CNCC(C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC2=CC(=C([NH+]=C12)N3CCC(CC3)[NH+]4CCC(CC4)O)CNC[C@@H](C)C5=CC=CC=C5

InChI

InChI=1S/C30H40N4O/c1-22-7-6-10-25-19-26(21-31-20-23(2)24-8-4-3-5-9-24)30(32-29(22)25)34-15-11-27(12-16-34)33-17-13-28(35)14-18-33/h3-10,19,23,27-28,31,35H,11-18,20-21H2,1-2H3/p+2/t23-/m1/s1