[(3S)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(1H-pyrrol-2-yl)propyl]azanium

Systemtic Name: [(3S)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(1H-pyrrol-2-yl)propyl]azanium Openeye Name: [(3S)-3-(4-benzylpiperazin-4-ium-1-yl)-3-(1H-pyrrol-2-yl)propyl]ammonium CAS Name: [(3S)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-(1H-pyrrol-2-yl)propyl]ammonium IUPAC Name: [(3S)-3-(4-benzylpiperazin-4-ium-1-yl)-3-(1H-pyrrol-2-yl)propyl]azanium Traditional Name: [(3S)-3-(4-benzylpiperazin-4-ium-1-yl)-3-(1H-pyrrol-2-yl)propyl]ammonium Formula: C18H28N4+2 MolecularWeight: 300.44172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(CC[NH3+])C3=CC=CN3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)[C@@H](CC[NH3+])C3=CC=CN3

InChI

InChI=1S/C18H26N4/c19-9-8-18(17-7-4-10-20-17)22-13-11-21(12-14-22)15-16-5-2-1-3-6-16/h1-7,10,18,20H,8-9,11-15,19H2/p+2/t18-/m0/s1