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

Systemtic Name: (3S)-N-(4-propan-2-ylphenyl)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(4-isopropylphenyl)-1-(3-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-(4-propan-2-ylphenyl)-1-(3-pyridinylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(4-propan-2-ylphenyl)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-amine Traditional Name: p-cumenyl-[(3S)-1-(3-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=CN=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N[C@H]2CCC[NH+](C2)CC3=CN=CC=C3

InChI

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