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

Systemtic Name: (3S)-N-methyl-1-phenethyl-N-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-3-amine Openeye Name: (3S)-N-methyl-1-phenethyl-N-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-3-amine CAS Name: (3S)-N-methyl-1-phenethyl-N-[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]-3-piperidinamine IUPAC Name: (3S)-N-methyl-1-phenethyl-N-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-3-amine Traditional Name: methyl-[(3S)-1-phenethyl-3-piperidyl]-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]amine Formula: C25H37N4+ MolecularWeight: 393.58808

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CC[NH+](CC1)CC2=CC=CC=N2)C3CCCN(C3)CCC4=CC=CC=C4

Isomeric SMILES

CN([C@H]1CCCN(C1)CCC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C25H36N4/c1-27(24-13-18-29(19-14-24)20-23-10-5-6-15-26-23)25-11-7-16-28(21-25)17-12-22-8-3-2-4-9-22/h2-6,8-10,15,24-25H,7,11-14,16-21H2,1H3/p+1/t25-/m0/s1