(2S)-1-(3-butylimidazol-1-ium-1-yl)-N-methyl-3-phenyl-propan-2-amine

Systemtic Name: (2S)-1-(3-butylimidazol-1-ium-1-yl)-N-methyl-3-phenyl-propan-2-amine Openeye Name: (2S)-1-(3-butylimidazol-1-ium-1-yl)-N-methyl-3-phenyl-propan-2-amine CAS Name: (2S)-1-(3-butyl-1-imidazol-1-iumyl)-N-methyl-3-phenyl-2-propanamine IUPAC Name: (2S)-1-(3-butylimidazol-1-ium-1-yl)-N-methyl-3-phenylpropan-2-amine Traditional Name: [(1S)-1-benzyl-2-(3-butylimidazol-1-ium-1-yl)ethyl]-methyl-amine Formula: C17H26N3+ MolecularWeight: 272.40844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)CC(CC2=CC=CC=C2)NC

Isomeric SMILES

CCCCN1C=C[N+](=C1)C[C@H](CC2=CC=CC=C2)NC

InChI

InChI=1S/C17H26N3/c1-3-4-10-19-11-12-20(15-19)14-17(18-2)13-16-8-6-5-7-9-16/h5-9,11-12,15,17-18H,3-4,10,13-14H2,1-2H3/q+1/t17-/m0/s1