1-[4-[2-(diphenylmethyl)oxyethoxy]but-2-ynyl]-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[4-[2-(diphenylmethyl)oxyethoxy]but-2-ynyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-[4-(2-benzhydryloxyethoxy)but-2-ynyl]-4-benzyl-piperazin-4-ium CAS Name: 1-[4-[2-(diphenylmethyl)oxyethoxy]but-2-ynyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-[4-(2-benzhydryloxyethoxy)but-2-ynyl]-4-benzylpiperazin-4-ium Traditional Name: 1-[4-(2-benzhydryloxyethoxy)but-2-ynyl]-4-benzyl-piperazin-4-ium Formula: C30H35N2O2+ MolecularWeight: 455.6111

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC#CCOCCOC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)CC#CCOCCOC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H34N2O2/c1-4-12-27(13-5-1)26-32-21-19-31(20-22-32)18-10-11-23-33-24-25-34-30(28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-9,12-17,30H,18-26H2/p+1