N-[(2R)-4-oxidanylidene-4-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]butan-2-yl]benzamide

Systemtic Name: N-[(2R)-4-oxidanylidene-4-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]butan-2-yl]benzamide Openeye Name: N-[(1R)-3-(4-benzyl-1,4-diazepan-4-ium-1-yl)-1-methyl-3-oxo-propyl]benzamide CAS Name: N-[(2R)-4-oxo-4-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]butan-2-yl]benzamide IUPAC Name: N-[(2R)-4-(4-benzyl-1,4-diazepan-4-ium-1-yl)-4-oxobutan-2-yl]benzamide Traditional Name: N-[(1R)-3-(4-benzyl-1,4-diazepan-4-ium-1-yl)-3-keto-1-methyl-propyl]benzamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CC(=O)N1CCC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2/c1-19(24-23(28)21-11-6-3-7-12-21)17-22(27)26-14-8-13-25(15-16-26)18-20-9-4-2-5-10-20/h2-7,9-12,19H,8,13-18H2,1H3,(H,24,28)/p+1/t19-/m1/s1