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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)NC2=NC3=CC=CC=C3N=C(C2C4=CC=CC=C4)C

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)NC2=NC3=CC=CC=C3N=C([C@H]2C4=CC=CC=C4)C

InChI

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