N-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-phenyl-ethanamine

Systemtic Name: N-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-phenyl-ethanamine Openeye Name: N-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-N-[[(3S)-1-methyl-3-piperidyl]methyl]-2-phenyl-ethanamine CAS Name: N-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-N-[[(3S)-1-methyl-3-piperidinyl]methyl]-2-phenylethanamine IUPAC Name: N-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-phenylethanamine Traditional Name: (3-ethyl-1H-imidazol-3-ium-2-yl)methyl-[[(3S)-1-methyl-3-piperidyl]methyl]-phenethyl-amine Formula: C21H33N4+ MolecularWeight: 341.51352

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC=C1)CN(CCC2=CC=CC=C2)CC3CCCN(C3)C

Isomeric SMILES

CC[N+]1=C(NC=C1)CN(CCC2=CC=CC=C2)C[C@H]3CCCN(C3)C

InChI

InChI=1S/C21H32N4/c1-3-25-15-12-22-21(25)18-24(14-11-19-8-5-4-6-9-19)17-20-10-7-13-23(2)16-20/h4-6,8-9,12,15,20H,3,7,10-11,13-14,16-18H2,1-2H3/p+1/t20-/m0/s1