[(2S)-4-phenyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]azanium

Systemtic Name: [(2S)-4-phenyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]azanium Openeye Name: [(2S)-2-(4-benzylpiperazin-4-ium-1-yl)-4-phenyl-butyl]ammonium CAS Name: [(2S)-4-phenyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]butyl]ammonium IUPAC Name: [(2S)-2-(4-benzylpiperazin-4-ium-1-yl)-4-phenylbutyl]azanium Traditional Name: [(2S)-2-(4-benzylpiperazin-4-ium-1-yl)-4-phenyl-butyl]ammonium Formula: C21H31N3+2 MolecularWeight: 325.49094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(CCC3=CC=CC=C3)C[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)[C@@H](CCC3=CC=CC=C3)C[NH3+]

InChI

InChI=1S/C21H29N3/c22-17-21(12-11-19-7-3-1-4-8-19)24-15-13-23(14-16-24)18-20-9-5-2-6-10-20/h1-10,21H,11-18,22H2/p+2/t21-/m0/s1