1-[1-[(3-aminocarbonylphenyl)methyl]pyrrolidin-3-yl]-1-(1,3-benzoxazol-2-yl)piperidin-1-ium-2-carboxamide

Systemtic Name: 1-[1-[(3-aminocarbonylphenyl)methyl]pyrrolidin-3-yl]-1-(1,3-benzoxazol-2-yl)piperidin-1-ium-2-carboxamide Openeye Name: 1-(1,3-benzoxazol-2-yl)-1-[1-[(3-carbamoylphenyl)methyl]pyrrolidin-3-yl]piperidin-1-ium-2-carboxamide CAS Name: 1-(1,3-benzoxazol-2-yl)-1-[1-[(3-carbamoylphenyl)methyl]-3-pyrrolidinyl]-2-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-benzoxazol-2-yl)-1-[1-[(3-carbamoylphenyl)methyl]pyrrolidin-3-yl]piperidin-1-ium-2-carboxamide Traditional Name: 1-(1,3-benzoxazol-2-yl)-1-[1-(3-carbamoylbenzyl)pyrrolidin-3-yl]piperidin-1-ium-2-carboxamide Formula: C25H30N5O3+ MolecularWeight: 448.5374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C(C1)C(=O)N)(C2CCN(C2)CC3=CC=CC(=C3)C(=O)N)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CC[N+](C(C1)C(=O)N)(C2CCN(C2)CC3=CC=CC(=C3)C(=O)N)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H29N5O3/c26-23(31)18-7-5-6-17(14-18)15-29-12-11-19(16-29)30(13-4-3-9-21(30)24(27)32)25-28-20-8-1-2-10-22(20)33-25/h1-2,5-8,10,14,19,21H,3-4,9,11-13,15-16H2,(H3-,26,27,31,32)/p+1