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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CC(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2/c1-18(24-23(28)20-10-6-3-7-11-20)16-22(27)25-21-12-14-26(15-13-21)17-19-8-4-2-5-9-19/h2-11,18,21H,12-17H2,1H3,(H,24,28)(H,25,27)/p+1/t18-/m1/s1