[(3S)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-pyridin-3-yl-propyl]azanium

Systemtic Name: [(3S)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-pyridin-3-yl-propyl]azanium Openeye Name: [(3S)-3-(4-benzylpiperazin-4-ium-1-yl)-3-(3-pyridyl)propyl]ammonium CAS Name: [(3S)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-(3-pyridinyl)propyl]ammonium IUPAC Name: [(3S)-3-(4-benzylpiperazin-4-ium-1-yl)-3-pyridin-3-ylpropyl]azanium Traditional Name: [(3S)-3-(4-benzylpiperazin-4-ium-1-yl)-3-(3-pyridyl)propyl]ammonium Formula: C19H28N4+2 MolecularWeight: 312.45242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(CC[NH3+])C3=CN=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)[C@@H](CC[NH3+])C3=CN=CC=C3

InChI

InChI=1S/C19H26N4/c20-9-8-19(18-7-4-10-21-15-18)23-13-11-22(12-14-23)16-17-5-2-1-3-6-17/h1-7,10,15,19H,8-9,11-14,16,20H2/p+2/t19-/m0/s1