3-[(3R)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[(3R)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-yl]propan-1-one CAS Name: 3-[(3R)-1-(3-methylbut-2-enyl)-3-piperidin-1-iumyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[(3R)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-yl]propan-1-one Formula: C24H38N3O+ MolecularWeight: 384.57802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCCC(C1)CCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC(=CC[NH+]1CCC[C@@H](C1)CCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C24H37N3O/c1-21(2)12-14-25-13-6-9-23(20-25)10-11-24(28)27-17-15-26(16-18-27)19-22-7-4-3-5-8-22/h3-5,7-8,12,23H,6,9-11,13-20H2,1-2H3/p+1/t23-/m1/s1