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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCC[NH+](C2)CC3=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3/c1-16(2)18-5-7-19(8-6-18)22-20-4-3-13-23(15-20)14-17-9-11-21-12-10-17/h5-12,16,20,22H,3-4,13-15H2,1-2H3/p+1/t20-/m0/s1