2-(4-ethylpiperazin-4-ium-1-yl)-4-[(3S)-3-methylpiperidin-1-yl]quinazolin-3-ium

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-4-[(3S)-3-methylpiperidin-1-yl]quinazolin-3-ium Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)-4-[(3S)-3-methyl-1-piperidyl]quinazolin-3-ium CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-4-[(3S)-3-methyl-1-piperidinyl]quinazolin-3-ium IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)-4-[(3S)-3-methylpiperidin-1-yl]quinazolin-3-ium Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)-4-[(3S)-3-methylpiperidino]quinazolin-3-ium Formula: C20H31N5+2 MolecularWeight: 341.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=[NH+]2)N4CCCC(C4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=[NH+]2)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+2/t16-/m0/s1