(2S)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-prop-2-ynoxy-propan-2-ol

Systemtic Name: (2S)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-prop-2-ynoxy-propan-2-ol Openeye Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-prop-2-ynoxy-propan-2-ol CAS Name: (2S)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-prop-2-ynoxy-2-propanol IUPAC Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-prop-2-ynoxypropan-2-ol Traditional Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-propargyloxy-propan-2-ol Formula: C23H29N2O2+ MolecularWeight: 365.48856

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOCC(CN1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)O

Isomeric SMILES

C#CCOC[C@H](CN1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C23H28N2O2/c1-2-17-27-19-22(26)18-24-13-15-25(16-14-24)23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h1,3-12,22-23,26H,13-19H2/p+1/t22-/m0/s1