2-[(1S)-1-[(3R)-3-methylpiperazine-1,4-diium-1-yl]ethyl]-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[(1S)-1-[(3R)-3-methylpiperazine-1,4-diium-1-yl]ethyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[(1S)-1-[(3R)-3-methylpiperazine-1,4-diium-1-yl]ethyl]quinazolin-4-one CAS Name: 2-[(1S)-1-[(3R)-3-methyl-1-piperazine-1,4-diiumyl]ethyl]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[(1S)-1-[(3R)-3-methylpiperazine-1,4-diium-1-yl]ethyl]quinazolin-4-one Traditional Name: 3-benzyl-2-[(1S)-1-[(3R)-3-methylpiperazine-1,4-diium-1-yl]ethyl]quinazolin-4-one Formula: C22H28N4O+2 MolecularWeight: 364.48392

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC[NH2+]1)C(C)C2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

C[C@@H]1C[NH+](CC[NH2+]1)[C@@H](C)C2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O/c1-16-14-25(13-12-23-16)17(2)21-24-20-11-7-6-10-19(20)22(27)26(21)15-18-8-4-3-5-9-18/h3-11,16-17,23H,12-15H2,1-2H3/p+2/t16-,17+/m1/s1