[(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-3-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-3-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-3-piperidyl]-methyl-ammonium CAS Name: [(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-3-piperidinyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-3-yl]-methylazanium Traditional Name: benzyl-[(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-3-piperidyl]-methyl-ammonium Formula: C19H30N4+2 MolecularWeight: 314.4683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC=C1)CN2CCCC(C2)[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CC[N+]1=C(NC=C1)CN2CCC[C@@H](C2)[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C19H28N4/c1-3-23-13-11-20-19(23)16-22-12-7-10-18(15-22)21(2)14-17-8-5-4-6-9-17/h4-6,8-9,11,13,18H,3,7,10,12,14-16H2,1-2H3/p+2/t18-/m0/s1