(3S)-N-(4-propan-2-ylphenyl)-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(4-propan-2-ylphenyl)-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(4-isopropylphenyl)-1-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(4-propan-2-ylphenyl)-1-[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(4-propan-2-ylphenyl)-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-amine Traditional Name: p-cumenyl-[(3S)-1-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]amine Formula: C25H38N4+2 MolecularWeight: 394.59602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C25H36N4/c1-20(2)21-8-10-22(11-9-21)27-24-7-5-15-29(19-24)25-12-16-28(17-13-25)18-23-6-3-4-14-26-23/h3-4,6,8-11,14,20,24-25,27H,5,7,12-13,15-19H2,1-2H3/p+2/t24-/m0/s1