1-[(R)-(4-tert-butylphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-[(R)-(4-tert-butylphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazin-4-ium Openeye Name: 1-[(R)-(4-tert-butylphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazin-4-ium CAS Name: 1-[(R)-(4-tert-butylphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazin-4-ium IUPAC Name: 1-[(R)-(4-tert-butylphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazin-4-ium Traditional Name: 1-[(R)-(4-tert-butylphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazin-4-ium Formula: C19H30N4+2 MolecularWeight: 314.4683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C2=[N+](C=CN2)C)N3CC[NH2+]CC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H](C2=[N+](C=CN2)C)N3CC[NH2+]CC3

InChI

InChI=1S/C19H28N4/c1-19(2,3)16-7-5-15(6-8-16)17(18-21-11-12-22(18)4)23-13-9-20-10-14-23/h5-8,11-12,17,20H,9-10,13-14H2,1-4H3/p+2/t17-/m1/s1