2-[[(3S)-3-ethylpiperidin-1-ium-1-yl]methyl]quinazolin-4-amine

Systemtic Name: 2-[[(3S)-3-ethylpiperidin-1-ium-1-yl]methyl]quinazolin-4-amine Openeye Name: 2-[[(3S)-3-ethylpiperidin-1-ium-1-yl]methyl]quinazolin-4-amine CAS Name: 2-[[(3S)-3-ethyl-1-piperidin-1-iumyl]methyl]-4-quinazolinamine IUPAC Name: 2-[[(3S)-3-ethylpiperidin-1-ium-1-yl]methyl]quinazolin-4-amine Traditional Name: [2-[[(3S)-3-ethylpiperidin-1-ium-1-yl]methyl]quinazolin-4-yl]amine Formula: C16H23N4+ MolecularWeight: 271.38062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)N

Isomeric SMILES

CC[C@H]1CCC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)N

InChI

InChI=1S/C16H22N4/c1-2-12-6-5-9-20(10-12)11-15-18-14-8-4-3-7-13(14)16(17)19-15/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H2,17,18,19)/p+1/t12-/m0/s1