1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-[(3R)-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]propan-1-one Formula: C25H39N5O+2 MolecularWeight: 425.61006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCN2C=CC=N2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCN2C=CC=N2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H37N5O/c31-25(29-19-17-28(18-20-29)21-23-7-2-1-3-8-23)11-10-24-9-4-13-27(22-24)14-6-16-30-15-5-12-26-30/h1-3,5,7-8,12,15,24H,4,6,9-11,13-14,16-22H2/p+2/t24-/m1/s1