(3R)-2-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-2-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-2-[2-(isopentylcarbamoylamino)-2-oxo-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-2-[2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-2-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-2-[2-(isoamylcarbamoylamino)-2-keto-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C18H27N4O3+ MolecularWeight: 347.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)C[NH+]1CC2=CC=CC=C2CC1C(=O)N

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)C[NH+]1CC2=CC=CC=C2C[C@@H]1C(=O)N

InChI

InChI=1S/C18H26N4O3/c1-12(2)7-8-20-18(25)21-16(23)11-22-10-14-6-4-3-5-13(14)9-15(22)17(19)24/h3-6,12,15H,7-11H2,1-2H3,(H2,19,24)(H2,20,21,23,25)/p+1/t15-/m1/s1