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

Systemtic Name: (4-tert-butylphenyl)-[(3S)-1-[(2-methyl-1H-imidazol-3-ium-5-yl)methyl]piperidin-3-yl]methanone Openeye Name: (4-tert-butylphenyl)-[(3S)-1-[(2-methyl-1H-imidazol-3-ium-5-yl)methyl]-3-piperidyl]methanone CAS Name: (4-tert-butylphenyl)-[(3S)-1-[(2-methyl-1H-imidazol-3-ium-5-yl)methyl]-3-piperidinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[(3S)-1-[(2-methyl-1H-imidazol-3-ium-5-yl)methyl]piperidin-3-yl]methanone Traditional Name: (4-tert-butylphenyl)-[(3S)-1-[(2-methyl-1H-imidazol-3-ium-5-yl)methyl]-3-piperidyl]methanone Formula: C21H30N3O+ MolecularWeight: 340.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=C(N1)CN2CCCC(C2)C(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=[NH+]C=C(N1)CN2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H29N3O/c1-15-22-12-19(23-15)14-24-11-5-6-17(13-24)20(25)16-7-9-18(10-8-16)21(2,3)4/h7-10,12,17H,5-6,11,13-14H2,1-4H3,(H,22,23)/p+1/t17-/m0/s1