[2-[[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]carbamoyl]phenyl] ethanoate

Systemtic Name: [2-[[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]carbamoyl]phenyl] ethanoate Openeye Name: [2-[[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]carbamoyl]phenyl] acetate CAS Name: acetic acid [2-[[[(2S)-2-(4-dimethylaminophenyl)-2-(4-morpholin-4-iumyl)ethyl]amino]-oxomethyl]phenyl] ester IUPAC Name: [2-[[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-ylethyl]carbamoyl]phenyl] acetate Traditional Name: acetic acid [2-[[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]carbamoyl]phenyl] ester Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)NCC(C2=CC=C(C=C2)N(C)C)[NH+]3CCOCC3

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)NC[C@H](C2=CC=C(C=C2)N(C)C)[NH+]3CCOCC3

InChI

InChI=1S/C23H29N3O4/c1-17(27)30-22-7-5-4-6-20(22)23(28)24-16-21(26-12-14-29-15-13-26)18-8-10-19(11-9-18)25(2)3/h4-11,21H,12-16H2,1-3H3,(H,24,28)/p+1/t21-/m1/s1