(3S)-1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-m-anisylpiperidin-1-ium-3-yl]-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]amine Formula: C18H28N4O+2 MolecularWeight: 316.44112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=CN1)CNC2CCC[NH+](C2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C([NH+]=CN1)CN[C@H]2CCC[NH+](C2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C18H26N4O/c1-14-18(21-13-20-14)10-19-16-6-4-8-22(12-16)11-15-5-3-7-17(9-15)23-2/h3,5,7,9,13,16,19H,4,6,8,10-12H2,1-2H3,(H,20,21)/p+2/t16-/m0/s1