[2-[[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]phenyl] ethanoate

Systemtic Name: [2-[[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]phenyl] ethanoate Openeye Name: [2-[[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]phenyl] acetate CAS Name: acetic acid [2-[[[(2S)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-oxomethyl]phenyl] ester IUPAC Name: [2-[[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]carbamoyl]phenyl] acetate Traditional Name: acetic acid [2-[[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]phenyl] ester Formula: C23H30N3O3+ MolecularWeight: 396.5026

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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+]3CCCC3

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)NC[C@H](C2=CC=C(C=C2)N(C)C)[NH+]3CCCC3

InChI

InChI=1S/C23H29N3O3/c1-17(27)29-22-9-5-4-8-20(22)23(28)24-16-21(26-14-6-7-15-26)18-10-12-19(13-11-18)25(2)3/h4-5,8-13,21H,6-7,14-16H2,1-3H3,(H,24,28)/p+1/t21-/m1/s1