4-[(aminocarbonylamino)methyl]-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-[(aminocarbonylamino)methyl]-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-(ureidomethyl)benzamide CAS Name: 4-[(carbamoylamino)methyl]-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-[(carbamoylamino)methyl]-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-(ureidomethyl)benzamide Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC=C(C=C2)CNC(=O)N)C3=CC=CO3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC=C(C=C2)CNC(=O)N)C3=CC=CO3

InChI

InChI=1S/C20H26N4O3/c21-20(26)23-13-15-6-8-16(9-7-15)19(25)22-14-17(18-5-4-12-27-18)24-10-2-1-3-11-24/h4-9,12,17H,1-3,10-11,13-14H2,(H,22,25)(H3,21,23,26)/p+1/t17-/m0/s1