3-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-quinolin-1-ium-4-ol

Systemtic Name: 3-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-quinolin-1-ium-4-ol Openeye Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-quinolin-1-ium-4-ol CAS Name: 3-[[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-2-methyl-4-quinolin-1-iumol IUPAC Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-2-methylquinolin-1-ium-4-ol Traditional Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-quinolin-1-ium-4-ol Formula: C28H32N3O+3 MolecularWeight: 426.57318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1C[NH+]3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1C[NH+]3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C28H29N3O/c1-21-25(28(32)24-14-8-9-15-26(24)29-21)20-30-16-18-31(19-17-30)27(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,27H,16-20H2,1H3,(H,29,32)/p+3