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

Systemtic Name: 3-methyl-N-[(2S)-1-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: 3-methyl-N-[(1S)-1-methyl-2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-2-oxo-ethyl]benzamide CAS Name: 3-methyl-N-[(2S)-1-[[2-(4-morpholin-4-iumylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]benzamide IUPAC Name: 3-methyl-N-[(2S)-1-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]benzamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[[2-(morpholin-4-ium-4-ylmethyl)benzyl]amino]ethyl]-3-methyl-benzamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C)C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

InChI

InChI=1S/C23H29N3O3/c1-17-6-5-9-19(14-17)23(28)25-18(2)22(27)24-15-20-7-3-4-8-21(20)16-26-10-12-29-13-11-26/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,24,27)(H,25,28)/p+1/t18-/m0/s1