2-(4-ethylpiperazin-4-ium-1-yl)-4-[(3R)-3-methylpiperidin-1-yl]quinazoline

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-4-[(3R)-3-methylpiperidin-1-yl]quinazoline Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)-4-[(3R)-3-methyl-1-piperidyl]quinazoline CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-4-[(3R)-3-methyl-1-piperidinyl]quinazoline IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)-4-[(3R)-3-methylpiperidin-1-yl]quinazoline Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)-4-[(3R)-3-methylpiperidino]quinazoline Formula: C20H30N5+ MolecularWeight: 340.4857

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)N4CCCC(C4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)N4CCC[C@H](C4)C

InChI

InChI=1S/C20H29N5/c1-3-23-11-13-24(14-12-23)20-21-18-9-5-4-8-17(18)19(22-20)25-10-6-7-16(2)15-25/h4-5,8-9,16H,3,6-7,10-15H2,1-2H3/p+1/t16-/m1/s1