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

Systemtic Name: (3S)-N-(4-propan-2-ylphenyl)-1-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]piperidin-3-amine Openeye Name: (3S)-N-(4-isopropylphenyl)-1-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-3-amine CAS Name: (3S)-N-(4-propan-2-ylphenyl)-1-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-3-piperidinamine IUPAC Name: (3S)-N-(4-propan-2-ylphenyl)-1-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]piperidin-3-amine Traditional Name: p-cumenyl-[(3S)-1-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]-3-piperidyl]amine Formula: C25H37N4+ MolecularWeight: 393.58808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C3CC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4/c1-20(2)22-7-9-23(10-8-22)27-24-6-4-14-29(19-24)25-11-15-28(16-12-25)18-21-5-3-13-26-17-21/h3,5,7-10,13,17,20,24-25,27H,4,6,11-12,14-16,18-19H2,1-2H3/p+1/t24-/m0/s1