(3S)-N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]-1-(3-phenylpropyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]-1-(3-phenylpropyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]-1-(3-phenylpropyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]-1-(3-phenylpropyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]-1-(3-phenylpropyl)piperidin-1-ium-3-amine Traditional Name: (5-methyl-1H-imidazol-3-ium-2-yl)methyl-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]amine Formula: C19H30N4+2 MolecularWeight: 314.4683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(N1)CNC2CCC[NH+](C2)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=C[NH+]=C(N1)CN[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C19H28N4/c1-16-13-21-19(22-16)14-20-18-10-6-12-23(15-18)11-5-9-17-7-3-2-4-8-17/h2-4,7-8,13,18,20H,5-6,9-12,14-15H2,1H3,(H,21,22)/p+2/t18-/m0/s1