2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]azaniumyl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]azaniumyl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[(1-benzylpiperidin-1-ium-4-yl)ammonio]ethyl-diisopropyl-ammonium CAS Name: 2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonio]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[(1-benzylpiperidin-1-ium-4-yl)azaniumyl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[(1-benzylpiperidin-1-ium-4-yl)ammonio]ethyl-diisopropyl-ammonium Formula: C20H38N3+3 MolecularWeight: 320.53582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC[NH2+]C1CC[NH+](CC1)CC2=CC=CC=C2)C(C)C

Isomeric SMILES

CC(C)[NH+](CC[NH2+]C1CC[NH+](CC1)CC2=CC=CC=C2)C(C)C

InChI

InChI=1S/C20H35N3/c1-17(2)23(18(3)4)15-12-21-20-10-13-22(14-11-20)16-19-8-6-5-7-9-19/h5-9,17-18,20-21H,10-16H2,1-4H3/p+3