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

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

Isomeric SMILES

CN(CC1=CC=CC=C1)[C@H]2CCCN(C2)C3CC[NH+](CC3)CC4=CN=CC=C4

InChI

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