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

Systemtic Name: N-[(3S)-2-ethyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(3S)-2-ethyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(3S)-2-ethyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-(4-methyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(3S)-2-ethyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(3S)-2-ethyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide Formula: C24H30N5O+ MolecularWeight: 404.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)C[NH+]4CCN(CC4)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2N=C([C@H]1C3=CC=CC=C3)NC(=O)C[NH+]4CCN(CC4)C

InChI

InChI=1S/C24H29N5O/c1-3-19-23(18-9-5-4-6-10-18)24(26-21-12-8-7-11-20(21)25-19)27-22(30)17-29-15-13-28(2)14-16-29/h4-12,23H,3,13-17H2,1-2H3,(H,26,27,30)/p+1/t23-/m0/s1