N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-ylethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methyl-3-nitro-benzamide Formula: C22H29N4O4+ MolecularWeight: 413.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)N(C)C)[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC[C@H](C2=CC=C(C=C2)N(C)C)[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O4/c1-16-4-5-18(14-20(16)26(28)29)22(27)23-15-21(25-10-12-30-13-11-25)17-6-8-19(9-7-17)24(2)3/h4-9,14,21H,10-13,15H2,1-3H3,(H,23,27)/p+1/t21-/m1/s1