(3S)-2-[3-(aminocarbonylamino)-3-oxidanylidene-propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3S)-2-[3-(aminocarbonylamino)-3-oxidanylidene-propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-2-(3-oxo-3-ureido-propyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-2-[3-(carbamoylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-2-[3-(carbamoylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-2-(3-keto-3-ureido-propyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C14H19N4O3+ MolecularWeight: 291.32566

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH+](CC2=CC=CC=C21)CCC(=O)NC(=O)N)C(=O)N

Isomeric SMILES

C1[C@H]([NH+](CC2=CC=CC=C21)CCC(=O)NC(=O)N)C(=O)N

InChI

InChI=1S/C14H18N4O3/c15-13(20)11-7-9-3-1-2-4-10(9)8-18(11)6-5-12(19)17-14(16)21/h1-4,11H,5-8H2,(H2,15,20)(H3,16,17,19,21)/p+1/t11-/m0/s1