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

Systemtic Name: (3S)-N-methyl-N-phenethyl-1-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-methyl-N-phenethyl-1-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-amine CAS Name: (3S)-N-methyl-N-phenethyl-1-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-methyl-N-phenethyl-1-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-amine Traditional Name: methyl-phenethyl-[(3S)-1-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]amine Formula: C25H38N4+2 MolecularWeight: 394.59602

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

CN(CCC1=CC=CC=C1)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CN=CC=C4

InChI

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