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

Systemtic Name: (3S)-N-methyl-N-(phenylmethyl)-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-3-amine Openeye Name: (3S)-N-benzyl-N-methyl-1-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-3-amine CAS Name: (3S)-N-methyl-N-(phenylmethyl)-1-[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]-3-piperidinamine IUPAC Name: (3S)-N-benzyl-N-methyl-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-3-amine Traditional Name: benzyl-methyl-[(3S)-1-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]-3-piperidyl]amine Formula: C24H35N4+ MolecularWeight: 379.5615

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2CCCN(C2)C3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

CN(CC1=CC=CC=C1)[C@H]2CCCN(C2)C3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C24H34N4/c1-26(18-21-8-3-2-4-9-21)24-11-7-15-28(20-24)23-12-16-27(17-13-23)19-22-10-5-6-14-25-22/h2-6,8-10,14,23-24H,7,11-13,15-20H2,1H3/p+1/t24-/m0/s1