(2S)-2,5-bis(acridin-10-ium-9-ylamino)pentanoate

Systemtic Name: (2S)-2,5-bis(acridin-10-ium-9-ylamino)pentanoate Openeye Name: (2S)-2,5-bis(acridin-10-ium-9-ylamino)pentanoate CAS Name: (2S)-2,5-bis(9-acridin-10-iumylamino)pentanoate IUPAC Name: (2S)-2,5-bis(acridin-10-ium-9-ylamino)pentanoate Traditional Name: (2S)-2,5-bis(acridin-10-ium-9-ylamino)valerate Formula: C31H27N4O2+ MolecularWeight: 487.57168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=[NH+]2)NCCCC(C(=O)[O-])NC4=C5C=CC=CC5=[NH+]C6=CC=CC=C64

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=[NH+]2)NCCC[C@@H](C(=O)[O-])NC4=C5C=CC=CC5=[NH+]C6=CC=CC=C64

InChI

InChI=1S/C31H26N4O2/c36-31(37)28(35-30-22-12-3-7-16-26(22)34-27-17-8-4-13-23(27)30)18-9-19-32-29-20-10-1-5-14-24(20)33-25-15-6-2-11-21(25)29/h1-8,10-17,28H,9,18-19H2,(H,32,33)(H,34,35)(H,36,37)/p+1/t28-/m0/s1