2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine

Systemtic Name: 2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine Openeye Name: 2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-N-(2-thienylmethyl)quinazolin-4-amine CAS Name: 2-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-N-(thiophen-2-ylmethyl)-4-quinazolinamine IUPAC Name: 2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine Traditional Name: [2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]quinazolin-4-yl]-(2-thenyl)amine Formula: C20H25N4S+ MolecularWeight: 353.5043

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CS4

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CS4

InChI

InChI=1S/C20H24N4S/c1-15-7-4-5-11-24(15)14-19-22-18-10-3-2-9-17(18)20(23-19)21-13-16-8-6-12-25-16/h2-3,6,8-10,12,15H,4-5,7,11,13-14H2,1H3,(H,21,22,23)/p+1/t15-/m0/s1