(3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]-3-[2-(2-methylphenyl)ethyl]piperidin-1-ium

Systemtic Name: (3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]-3-[2-(2-methylphenyl)ethyl]piperidin-1-ium Openeye Name: (3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]-3-[2-(o-tolyl)ethyl]piperidin-1-ium CAS Name: (3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]-3-[2-(2-methylphenyl)ethyl]piperidin-1-ium IUPAC Name: (3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]-3-[2-(2-methylphenyl)ethyl]piperidin-1-ium Traditional Name: (3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]-3-[2-(o-tolyl)ethyl]piperidin-1-ium Formula: C19H28N3+ MolecularWeight: 298.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC2CCC[NH+](C2)CC3=CN=C(N3)C

Isomeric SMILES

CC1=CC=CC=C1CC[C@H]2CCC[NH+](C2)CC3=CN=C(N3)C

InChI

InChI=1S/C19H27N3/c1-15-6-3-4-8-18(15)10-9-17-7-5-11-22(13-17)14-19-12-20-16(2)21-19/h3-4,6,8,12,17H,5,7,9-11,13-14H2,1-2H3,(H,20,21)/p+1/t17-/m1/s1