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

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[(2S)-pyrrolidin-1-ium-2-yl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[(2S)-2-pyrrolidin-1-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[(2S)-pyrrolidin-1-ium-2-yl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[(2S)-pyrrolidin-1-ium-2-yl]methanone Formula: C22H29N3O+2 MolecularWeight: 351.48516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H]([NH2+]C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O/c26-22(20-12-7-13-23-20)25-16-14-24(15-17-25)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20-21,23H,7,12-17H2/p+2/t20-/m0/s1