[4-(phenylmethyl)piperazin-4-ium-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[(2S)-pyrrolidin-1-ium-2-yl]methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-[(2S)-2-pyrrolidin-1-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[(2S)-pyrrolidin-1-ium-2-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[(2S)-pyrrolidin-1-ium-2-yl]methanone Formula: C16H25N3O+2 MolecularWeight: 275.3892

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C1C[C@H]([NH2+]C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C16H23N3O/c20-16(15-7-4-8-17-15)19-11-9-18(10-12-19)13-14-5-2-1-3-6-14/h1-3,5-6,15,17H,4,7-13H2/p+2/t15-/m0/s1