N-[(2S,3S)-3-methyl-1-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-1-oxidanylidene-pentan-2-yl]benzamide

Systemtic Name: N-[(2S,3S)-3-methyl-1-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-1-oxidanylidene-pentan-2-yl]benzamide Openeye Name: N-[(1S,2S)-2-methyl-1-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylcarbamoyl]butyl]benzamide CAS Name: N-[(2S,3S)-3-methyl-1-[[2-(4-morpholin-4-iumylmethyl)phenyl]methylamino]-1-oxopentan-2-yl]benzamide IUPAC Name: N-[(2S,3S)-3-methyl-1-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-1-oxopentan-2-yl]benzamide Traditional Name: N-[(1S,2S)-2-methyl-1-[[2-(morpholin-4-ium-4-ylmethyl)benzyl]carbamoyl]butyl]benzamide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=CC=CC=C1C[NH+]2CCOCC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=C1C[NH+]2CCOCC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H33N3O3/c1-3-19(2)23(27-24(29)20-9-5-4-6-10-20)25(30)26-17-21-11-7-8-12-22(21)18-28-13-15-31-16-14-28/h4-12,19,23H,3,13-18H2,1-2H3,(H,26,30)(H,27,29)/p+1/t19-,23-/m0/s1