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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C4=NC=CC=N4

InChI

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