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

Systemtic Name: [(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-3-piperidyl]-methyl-phenethyl-ammonium Formula: C20H32N4+2 MolecularWeight: 328.49488

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC=C1)CN2CCCC(C2)[NH+](C)CCC3=CC=CC=C3

Isomeric SMILES

CC[N+]1=C(NC=C1)CN2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=C3

InChI

InChI=1S/C20H30N4/c1-3-24-15-12-21-20(24)17-23-13-7-10-19(16-23)22(2)14-11-18-8-5-4-6-9-18/h4-6,8-9,12,15,19H,3,7,10-11,13-14,16-17H2,1-2H3/p+2/t19-/m0/s1