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

Systemtic Name: [(3S)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-pyridin-4-yl-propyl]azanium Openeye Name: [(3S)-3-(4-benzylpiperazin-4-ium-1-yl)-3-(4-pyridyl)propyl]ammonium CAS Name: [(3S)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-pyridin-4-ylpropyl]ammonium IUPAC Name: [(3S)-3-(4-benzylpiperazin-4-ium-1-yl)-3-pyridin-4-ylpropyl]azanium Traditional Name: [(3S)-3-(4-benzylpiperazin-4-ium-1-yl)-3-(4-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=CC=NC=C3

Isomeric SMILES

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

InChI

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