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

Systemtic Name: N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-(4-methyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide Formula: C23H28N5O+ MolecularWeight: 390.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O/c1-17-22(18-8-4-3-5-9-18)23(25-20-11-7-6-10-19(20)24-17)26-21(29)16-28-14-12-27(2)13-15-28/h3-11,22H,12-16H2,1-2H3,(H,25,26,29)/p+1/t22-/m0/s1