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

Systemtic Name: 3-[(3R)-1-(cyclopropylmethyl)piperidin-1-ium-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(cyclopropylmethyl)piperidin-1-ium-3-yl]propan-1-one CAS Name: 3-[(3R)-1-(cyclopropylmethyl)-3-piperidin-1-iumyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(cyclopropylmethyl)piperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[(3R)-1-(cyclopropylmethyl)piperidin-1-ium-3-yl]propan-1-one Formula: C23H36N3O+ MolecularWeight: 370.55144

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2CC2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2CC2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H35N3O/c27-23(11-10-21-7-4-12-25(18-21)19-22-8-9-22)26-15-13-24(14-16-26)17-20-5-2-1-3-6-20/h1-3,5-6,21-22H,4,7-19H2/p+1/t21-/m1/s1