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

Systemtic Name: (3S)-N-methyl-1-(3-phenylpropyl)-N-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-3-amine Openeye Name: (3S)-N-methyl-1-(3-phenylpropyl)-N-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-3-amine CAS Name: (3S)-N-methyl-1-(3-phenylpropyl)-N-[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]-3-piperidinamine IUPAC Name: (3S)-N-methyl-1-(3-phenylpropyl)-N-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-3-amine Traditional Name: methyl-[(3S)-1-(3-phenylpropyl)-3-piperidyl]-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]amine Formula: C26H39N4+ MolecularWeight: 407.61466

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CC[NH+](CC1)CC2=CC=CC=N2)C3CCCN(C3)CCCC4=CC=CC=C4

Isomeric SMILES

CN([C@H]1CCCN(C1)CCCC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C26H38N4/c1-28(25-14-19-30(20-15-25)21-24-12-5-6-16-27-24)26-13-8-18-29(22-26)17-7-11-23-9-3-2-4-10-23/h2-6,9-10,12,16,25-26H,7-8,11,13-15,17-22H2,1H3/p+1/t26-/m0/s1