[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(2-pentoxyphenyl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(2-pentoxyphenyl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-pentoxyphenyl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(2-pentoxyphenyl)methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-pentoxyphenyl)methanone Traditional Name: (2-amoxyphenyl)-(4-benzhydrylpiperazin-4-ium-1-yl)methanone Formula: C29H35N2O2+ MolecularWeight: 443.6004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H34N2O2/c1-2-3-12-23-33-27-18-11-10-17-26(27)29(32)31-21-19-30(20-22-31)28(24-13-6-4-7-14-24)25-15-8-5-9-16-25/h4-11,13-18,28H,2-3,12,19-23H2,1H3/p+1