(4-tert-butylphenyl)-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (4-tert-butylphenyl)-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (4-tert-butylphenyl)-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (4-tert-butylphenyl)-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (4-tert-butylphenyl)-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C23H34N3O+ MolecularWeight: 368.53556

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1)C)C[NH+]2CCCC(C2)C(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCC1=NC(=C(N1)C)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H33N3O/c1-6-21-24-16(2)20(25-21)15-26-13-7-8-18(14-26)22(27)17-9-11-19(12-10-17)23(3,4)5/h9-12,18H,6-8,13-15H2,1-5H3,(H,24,25)/p+1/t18-/m0/s1