5-[[(3S)-3-[5-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]quinoxaline

Systemtic Name: 5-[[(3S)-3-[5-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]quinoxaline Openeye Name: 5-[[(3S)-3-[5-(p-tolyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]quinoxaline CAS Name: 5-[[(3S)-3-[5-(4-methylphenyl)-4-pyrimidinyl]-1-piperidin-1-iumyl]methyl]quinoxaline IUPAC Name: 5-[[(3S)-3-[5-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]quinoxaline Traditional Name: 5-[[(3S)-3-[5-(p-tolyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]quinoxaline Formula: C25H26N5+ MolecularWeight: 396.50744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CN=CN=C2C3CCC[NH+](C3)CC4=C5C(=CC=C4)N=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CN=CN=C2[C@H]3CCC[NH+](C3)CC4=C5C(=CC=C4)N=CC=N5

InChI

InChI=1S/C25H25N5/c1-18-7-9-19(10-8-18)22-14-26-17-29-24(22)20-5-3-13-30(15-20)16-21-4-2-6-23-25(21)28-12-11-27-23/h2,4,6-12,14,17,20H,3,5,13,15-16H2,1H3/p+1/t20-/m0/s1