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

Systemtic Name: (3S)-N-(4-propan-2-ylphenyl)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(4-isopropylphenyl)-1-(2-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-(4-propan-2-ylphenyl)-1-(2-pyridinylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(4-propan-2-ylphenyl)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Traditional Name: p-cumenyl-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]amine Formula: C20H28N3+ MolecularWeight: 310.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCC[NH+](C2)CC3=CC=CC=N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N[C@H]2CCC[NH+](C2)CC3=CC=CC=N3

InChI

InChI=1S/C20H27N3/c1-16(2)17-8-10-18(11-9-17)22-20-7-5-13-23(15-20)14-19-6-3-4-12-21-19/h3-4,6,8-12,16,20,22H,5,7,13-15H2,1-2H3/p+1/t20-/m0/s1