4-[(aminocarbonylamino)methyl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide

Systemtic Name: 4-[(aminocarbonylamino)methyl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(ureidomethyl)benzamide CAS Name: 4-[(carbamoylamino)methyl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]benzamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-[(carbamoylamino)methyl]benzamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(ureidomethyl)benzamide Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=CC=C(C=C2)CNC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)C2=CC=C(C=C2)CNC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O2/c21-20(26)22-12-15-6-8-17(9-7-15)19(25)23-18-10-11-24(14-18)13-16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,23,25)(H3,21,22,26)/p+1/t18-/m0/s1