3-(4-ethoxyphenyl)-2-[(1S)-1-piperazine-1,4-diium-1-ylethyl]quinazolin-4-one

Systemtic Name: 3-(4-ethoxyphenyl)-2-[(1S)-1-piperazine-1,4-diium-1-ylethyl]quinazolin-4-one Openeye Name: 3-(4-ethoxyphenyl)-2-[(1S)-1-piperazine-1,4-diium-1-ylethyl]quinazolin-4-one CAS Name: 3-(4-ethoxyphenyl)-2-[(1S)-1-(1-piperazine-1,4-diiumyl)ethyl]-4-quinazolinone IUPAC Name: 3-(4-ethoxyphenyl)-2-[(1S)-1-piperazine-1,4-diium-1-ylethyl]quinazolin-4-one Traditional Name: 2-[(1S)-1-piperazine-1,4-diium-1-ylethyl]-3-p-phenetyl-quinazolin-4-one Formula: C22H28N4O2+2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)[NH+]4CC[NH2+]CC4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2[C@H](C)[NH+]4CC[NH2+]CC4

InChI

InChI=1S/C22H26N4O2/c1-3-28-18-10-8-17(9-11-18)26-21(16(2)25-14-12-23-13-15-25)24-20-7-5-4-6-19(20)22(26)27/h4-11,16,23H,3,12-15H2,1-2H3/p+2/t16-/m0/s1