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

Systemtic Name: [8-methyl-2-[4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-yl]quinolin-3-yl]methyl-[(2S)-2-phenylpropyl]azanium Openeye Name: [2-[4-(4-hydroxypiperidin-1-ium-1-yl)-1-piperidyl]-8-methyl-3-quinolyl]methyl-[(2S)-2-phenylpropyl]ammonium CAS Name: [2-[4-(4-hydroxy-1-piperidin-1-iumyl)-1-piperidinyl]-8-methyl-3-quinolinyl]methyl-[(2S)-2-phenylpropyl]ammonium IUPAC Name: [2-[4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-yl]-8-methylquinolin-3-yl]methyl-[(2S)-2-phenylpropyl]azanium Traditional Name: [2-[4-(4-hydroxypiperidin-1-ium-1-yl)piperidino]-8-methyl-3-quinolyl]methyl-[(2S)-2-phenylpropyl]ammonium Formula: C30H42N4O+2 MolecularWeight: 474.68068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)N3CCC(CC3)[NH+]4CCC(CC4)O)C[NH2+]CC(C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)N3CCC(CC3)[NH+]4CCC(CC4)O)C[NH2+]C[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