1-[2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethyl]indole

Systemtic Name: 1-[2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethyl]indole Openeye Name: 1-[2-(4-benzhydrylpiperazin-1-ium-1-yl)ethyl]indole CAS Name: 1-[2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]ethyl]indole IUPAC Name: 1-[2-(4-benzhydrylpiperazin-1-ium-1-yl)ethyl]indole Traditional Name: 1-[2-(4-benzhydrylpiperazin-1-ium-1-yl)ethyl]indole Formula: C27H30N3+ MolecularWeight: 396.5472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCN2C=CC3=CC=CC=C32)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCN2C=CC3=CC=CC=C32)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3/c1-3-10-24(11-4-1)27(25-12-5-2-6-13-25)30-21-18-28(19-22-30)17-20-29-16-15-23-9-7-8-14-26(23)29/h1-16,27H,17-22H2/p+1