4-acetamido-N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-acetamido-N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-acetamido-N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-acetamido-N-[(2S)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-acetamido-N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-acetamido-N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NCC(C2=CC(=CC=C2)OC)[NH+]3CCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NC[C@H](C2=CC(=CC=C2)OC)[NH+]3CCCC3

InChI

InChI=1S/C22H27N3O3/c1-16(26)24-19-10-8-17(9-11-19)22(27)23-15-21(25-12-3-4-13-25)18-6-5-7-20(14-18)28-2/h5-11,14,21H,3-4,12-13,15H2,1-2H3,(H,23,27)(H,24,26)/p+1/t21-/m1/s1