3,5-diacetamido-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide

Systemtic Name: 3,5-diacetamido-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide Openeye Name: 3,5-diacetamido-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]benzamide CAS Name: 3,5-diacetamido-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]benzamide IUPAC Name: 3,5-diacetamido-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]benzamide Traditional Name: 3,5-diacetamido-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]benzamide Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)NC2CC[NH+](C2)CC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C22H26N4O3/c1-15(27)23-20-10-18(11-21(12-20)24-16(2)28)22(29)25-19-8-9-26(14-19)13-17-6-4-3-5-7-17/h3-7,10-12,19H,8-9,13-14H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/p+1/t19-/m0/s1