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

Systemtic Name: (3S)-N-methyl-1-phenethyl-N-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]piperidin-3-amine Openeye Name: (3S)-N-methyl-1-phenethyl-N-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-3-amine CAS Name: (3S)-N-methyl-1-phenethyl-N-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-3-piperidinamine IUPAC Name: (3S)-N-methyl-1-phenethyl-N-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]piperidin-3-amine Traditional Name: methyl-[(3S)-1-phenethyl-3-piperidyl]-[1-(3-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=CN=CC=C2)C3CCCN(C3)CCC4=CC=CC=C4

Isomeric SMILES

CN([C@H]1CCCN(C1)CCC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CN=CC=C4

InChI

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