(3S)-1-(1H-imidazol-5-ylmethyl)-N-(4-propan-2-ylphenyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-(1H-imidazol-5-ylmethyl)-N-(4-propan-2-ylphenyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-(1H-imidazol-5-ylmethyl)-N-(4-isopropylphenyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-(1H-imidazol-5-ylmethyl)-N-(4-propan-2-ylphenyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(1H-imidazol-5-ylmethyl)-N-(4-propan-2-ylphenyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-yl]-p-cumenyl-amine Formula: C18H27N4+ MolecularWeight: 299.43378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCC[NH+](C2)CC3=CN=CN3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N[C@H]2CCC[NH+](C2)CC3=CN=CN3

InChI

InChI=1S/C18H26N4/c1-14(2)15-5-7-16(8-6-15)21-17-4-3-9-22(11-17)12-18-10-19-13-20-18/h5-8,10,13-14,17,21H,3-4,9,11-12H2,1-2H3,(H,19,20)/p+1/t17-/m0/s1