(2S)-1-[4-[bis(azanyl)methylidene]piperazin-4-ium-1-yl]-3-phenoxy-propan-2-ol

Systemtic Name: (2S)-1-[4-[bis(azanyl)methylidene]piperazin-4-ium-1-yl]-3-phenoxy-propan-2-ol Openeye Name: (2S)-1-[4-(diaminomethylene)piperazin-4-ium-1-yl]-3-phenoxy-propan-2-ol CAS Name: (2S)-1-[4-(diaminomethylidene)-1-piperazin-4-iumyl]-3-phenoxy-2-propanol IUPAC Name: (2S)-1-[4-(diaminomethylidene)piperazin-4-ium-1-yl]-3-phenoxypropan-2-ol Traditional Name: (2S)-1-[4-(diaminomethylene)piperazin-4-ium-1-yl]-3-phenoxy-propan-2-ol Formula: C14H23N4O2+ MolecularWeight: 279.35802

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C(N)N)CCN1CC(COC2=CC=CC=C2)O

Isomeric SMILES

C1C[N+](=C(N)N)CCN1C[C@@H](COC2=CC=CC=C2)O

InChI

InChI=1S/C14H22N4O2/c15-14(16)18-8-6-17(7-9-18)10-12(19)11-20-13-4-2-1-3-5-13/h1-5,12,19H,6-11H2,(H3,15,16)/p+1/t12-/m0/s1