[4-(phenylmethyl)piperazin-4-ium-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[(3S)-1-pyrimidin-2-yl-3-piperidyl]methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[(3S)-1-(2-pyrimidyl)-3-piperidyl]methanone Formula: C21H28N5O+ MolecularWeight: 366.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N5O/c27-20(19-8-4-11-26(17-19)21-22-9-5-10-23-21)25-14-12-24(13-15-25)16-18-6-2-1-3-7-18/h1-3,5-7,9-10,19H,4,8,11-17H2/p+1/t19-/m0/s1