N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C28H30N5O+ MolecularWeight: 452.5707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C([C@H]1C3=CC=CC=C3)NC(=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N5O/c1-21-27(22-10-4-2-5-11-22)28(30-25-15-9-8-14-24(25)29-21)31-26(34)20-32-16-18-33(19-17-32)23-12-6-3-7-13-23/h2-15,27H,16-20H2,1H3,(H,30,31,34)/p+1/t27-/m1/s1